3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide

C119H130Cl5N9O19S4 — CID 159411952

IUPAC3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide
SMILESCS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21.CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccccc21.Cc1cc(OCC(C)Cc2cn(CCC(=O)O)c3ccccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
InChIInChI=1S/C25H25ClN2O4S.C25H26N2O4S.C23H26Cl2N2O4S.C23H27ClN2O4S.C23H26ClNO3/c1-33(30,31)27-25(29)13-14-28-17-19(21-12-11-20(26)16-23(21)28)8-5-15-32-24-10-4-7-18-6-2-3-9-22(18)24;1-32(29,30)26-25(28)15-16-27-18-20(21-11-4-5-13-23(21)27)10-7-17-31-24-14-6-9-19-8-2-3-12-22(19)24;1-15-11-19(12-16(2)23(15)25)31-10-4-5-17-14-27(9-8-22(28)26-32(3,29)30)21-13-18(24)6-7-20(17)21;1-16-13-19(14-17(2)23(16)24)30-12-6-7-18-15-26(21-9-5-4-8-20(18)21)11-10-22(27)25-31(3,28)29;1-15(14-28-19-11-16(2)23(24)17(3)12-19)10-18-13-25(9-8-22(26)27)21-7-5-4-6-20(18)21/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,27,29);2-6,8-9,11-14,18H,7,10,15-17H2,1H3,(H,26,28);6-7,11-14H,4-5,8-10H2,1-3H3,(H,26,28);4-5,8-9,13-15H,6-7,10-12H2,1-3H3,(H,25,27);4-7,11-13,15H,8-10,14H2,1-3H3,(H,26,27)
InChIKeyLORMHNLNXPQPDE-UHFFFAOYSA-N
MW2295.93 g/mol
LogP24.27
Rot. Bonds44

About 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide

3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide (PubChem CID 159411952) has the molecular formula C119H130Cl5N9O19S4 and a molecular weight of 2295.93 g/mol. Its IUPAC name is 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide
PubChem CID159411952
Molecular FormulaC119H130Cl5N9O19S4
Molecular Weight2295.93 g/mol
Exact Mass2291.68
IUPAC Name3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide
SMILESCS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21.CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccccc21.Cc1cc(OCC(C)Cc2cn(CCC(=O)O)c3ccccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
InChIInChI=1S/C25H25ClN2O4S.C25H26N2O4S.C23H26Cl2N2O4S.C23H27ClN2O4S.C23H26ClNO3/c1-33(30,31)27-25(29)13-14-28-17-19(21-12-11-20(26)16-23(21)28)8-5-15-32-24-10-4-7-18-6-2-3-9-22(18)24;1-32(29,30)26-25(28)15-16-27-18-20(21-11-4-5-13-23(21)27)10-7-17-31-24-14-6-9-19-8-2-3-12-22(19)24;1-15-11-19(12-16(2)23(15)25)31-10-4-5-17-14-27(9-8-22(28)26-32(3,29)30)21-13-18(24)6-7-20(17)21;1-16-13-19(14-17(2)23(16)24)30-12-6-7-18-15-26(21-9-5-4-8-20(18)21)11-10-22(27)25-31(3,28)29;1-15(14-28-19-11-16(2)23(24)17(3)12-19)10-18-13-25(9-8-22(26)27)21-7-5-4-6-20(18)21/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,27,29);2-6,8-9,11-14,18H,7,10,15-17H2,1H3,(H,26,28);6-7,11-14H,4-5,8-10H2,1-3H3,(H,26,28);4-5,8-9,13-15H,6-7,10-12H2,1-3H3,(H,25,27);4-7,11-13,15H,8-10,14H2,1-3H3,(H,26,27)
InChIKeyLORMHNLNXPQPDE-UHFFFAOYSA-N
XLogP24.27
TPSA361.06 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds44
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002295.93
LogP ≤ 524.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide with MolForge

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Related Compounds

2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid
CID 162052478
3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 144800781
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-methylsulfonyl-1-benzothiophene-2-carboxamide;N-cyclopropylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1-benzothiophene-2-carboxamide;3-(2-naphthalen-1-ylethyl)-1-benzothiophene-2-carboxylic acid;3-(3-naphthalen-1-ylpropyl)-1-benzothiophene-2-carboxylic acid
CID 157496077
2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfanylbutanamide
CID 144800786
4-[7-[2-[4-[4-(2,3-difluorophenoxy)butoxy]phenyl]ethenyl]-1-[2-(methanesulfonamido)-2-oxoethyl]indol-3-yl]butanoic acid
CID 68692463
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
CID 57168654
N-[1-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972593
N-[1-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968785
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
N-(4-benzamidophenyl)sulfonyl-6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 155137407
N-(benzenesulfonyl)-1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indole-2-carboxamide
CID 175655652

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide?
The IUPAC name of 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide (CID 159411952) is 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide.
What is the SMILES notation for 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide?
The canonical SMILES for 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide is CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21.CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccccc21.Cc1cc(OCC(C)Cc2cn(CCC(=O)O)c3ccccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl.
What is the InChIKey of 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide?
The InChIKey is LORMHNLNXPQPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4S.C25H26N2O4S.C23H26Cl2N2O4S.C23H27ClN2O4S.C23H26ClNO3/c1-33(30,31)27-25(29)13-14-28-17-19(21-12-11-20(26)16-23(21)28)8-5-15-32-24-10-4-7-18-6-2-3-9-22(18)24;1-32(29,30)26-25(28)15-16-27-18-20(21-11-4-5-13-23(21)27)10-7-17-31-24-14-6-9-19-8-2-3-12-22(19)24;1-15-11-19(12-16(2)23(15)25)31-10-4-5-17-14-27(9-8-22(28)26-32(3,29)30)21-13-18(24)6-7-20(17)21;1-16-13-19(14-17(2)23(16)24)30-12-6-7-18-15-26(21-9-5-4-8-20(18)21)11-10-22(27)25-31(3,28)29;1-15(14-28-19-11-16(2)23(24)17(3)12-19)10-18-13-25(9-8-22(26)27)21-7-5-4-6-20(18)21/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,27,29);2-6,8-9,11-14,18H,7,10,15-17H2,1H3,(H,26,28);6-7,11-14H,4-5,8-10H2,1-3H3,(H,26,28);4-5,8-9,13-15H,6-7,10-12H2,1-3H3,(H,25,27);4-7,11-13,15H,8-10,14H2,1-3H3,(H,26,27).
What are the key properties of 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide?
3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide has a molecular weight of 2295.93 g/mol, XLogP of 24.27, 44 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide is sourced from PubChem (CID 159411952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).