3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide

C28H31N3O4S — CID 163845467

IUPAC3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCCN(CCCc1c[nH]c2c(C(N)=O)cc(-c3ccccc3)cc12)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H31N3O4S/c1-3-15-31(36(33,34)24-13-11-23(35-2)12-14-24)16-7-10-21-19-30-27-25(21)17-22(18-26(27)28(29)32)20-8-5-4-6-9-20/h4-6,8-9,11-14,17-19,30H,3,7,10,15-16H2,1-2H3,(H2,29,32)
InChIKeyOPTGALSXYMPLRJ-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.98
Rot. Bonds11

About 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide

3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 163845467) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID163845467
Molecular FormulaC28H31N3O4S
Molecular Weight505.64 g/mol
Exact Mass505.20
IUPAC Name3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCCN(CCCc1c[nH]c2c(C(N)=O)cc(-c3ccccc3)cc12)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H31N3O4S/c1-3-15-31(36(33,34)24-13-11-23(35-2)12-14-24)16-7-10-21-19-30-27-25(21)17-22(18-26(27)28(29)32)20-8-5-4-6-9-20/h4-6,8-9,11-14,17-19,30H,3,7,10,15-16H2,1-2H3,(H2,29,32)
InChIKeyOPTGALSXYMPLRJ-UHFFFAOYSA-N
XLogP4.98
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-propylamino]acetamide
CID 3547017
(7-carbamoyl-5-phenyl-1H-indol-3-yl)methyl-trimethylazanium iodide
CID 86624137
3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144420
3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69145423
3-[4-[3-[(4-phenylphenyl)sulfonyl-propylamino]propyl]phenyl]propanoic acid
CID 58712936
ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
CID 10834308
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 2028486
N,N-dipropylbenzenesulfonamide
CID 4053954
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3278699
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951795

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide (CID 163845467) is 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide is CCCN(CCCc1c[nH]c2c(C(N)=O)cc(-c3ccccc3)cc12)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is OPTGALSXYMPLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c1-3-15-31(36(33,34)24-13-11-23(35-2)12-14-24)16-7-10-21-19-30-27-25(21)17-22(18-26(27)28(29)32)20-8-5-4-6-9-20/h4-6,8-9,11-14,17-19,30H,3,7,10,15-16H2,1-2H3,(H2,29,32).
What are the key properties of 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide?
3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 505.64 g/mol, XLogP of 4.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]propyl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 163845467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).