3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide

C80H77Cl2N5O9S — CID 163859255

IUPAC3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide
SMILESCc1cc(OCCCC2=C(C(=O)NC3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)Cc3ccccc32)cc(C)c1Cl.Cc1ccc(S(=O)(=O)NC(=O)c2cccc(NC(=O)C3=C(CCCOc4cc(C)c(Cl)c(C)c4)c4cccc(-c5cccnc5C)c4C3)c2)cc1
InChIInChI=1S/C41H38ClN3O5S.C39H39ClN2O4/c1-25-15-17-32(18-16-25)51(48,49)45-40(46)29-9-5-10-30(23-29)44-41(47)38-24-37-34(33-13-7-19-43-28(33)4)11-6-12-35(37)36(38)14-8-20-50-31-21-26(2)39(42)27(3)22-31;1-26-22-33(23-27(2)37(26)40)45-21-9-16-35-34-15-7-6-10-28(34)25-36(35)38(43)41-30-17-19-42(20-18-30)39(44)29-11-8-14-32(24-29)46-31-12-4-3-5-13-31/h5-7,9-13,15-19,21-23H,8,14,20,24H2,1-4H3,(H,44,47)(H,45,46);3-8,10-15,22-24,30H,9,16-21,25H2,1-2H3,(H,41,43)
InChIKeyPBBFXMFLOJIRGN-UHFFFAOYSA-N
MW1355.49 g/mol
LogP16.90
Rot. Bonds21

About 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide

3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide (PubChem CID 163859255) has the molecular formula C80H77Cl2N5O9S and a molecular weight of 1355.49 g/mol. Its IUPAC name is 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide.

Molecular Properties

Compound Name3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide
PubChem CID163859255
Molecular FormulaC80H77Cl2N5O9S
Molecular Weight1355.49 g/mol
Exact Mass1353.48
IUPAC Name3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide
SMILESCc1cc(OCCCC2=C(C(=O)NC3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)Cc3ccccc32)cc(C)c1Cl.Cc1ccc(S(=O)(=O)NC(=O)c2cccc(NC(=O)C3=C(CCCOc4cc(C)c(Cl)c(C)c4)c4cccc(-c5cccnc5C)c4C3)c2)cc1
InChIInChI=1S/C41H38ClN3O5S.C39H39ClN2O4/c1-25-15-17-32(18-16-25)51(48,49)45-40(46)29-9-5-10-30(23-29)44-41(47)38-24-37-34(33-13-7-19-43-28(33)4)11-6-12-35(37)36(38)14-8-20-50-31-21-26(2)39(42)27(3)22-31;1-26-22-33(23-27(2)37(26)40)45-21-9-16-35-34-15-7-6-10-28(34)25-36(35)38(43)41-30-17-19-42(20-18-30)39(44)29-11-8-14-32(24-29)46-31-12-4-3-5-13-31/h5-7,9-13,15-19,21-23H,8,14,20,24H2,1-4H3,(H,44,47)(H,45,46);3-8,10-15,22-24,30H,9,16-21,25H2,1-2H3,(H,41,43)
InChIKeyPBBFXMFLOJIRGN-UHFFFAOYSA-N
XLogP16.90
TPSA182.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001355.49
LogP ≤ 516.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide?
The IUPAC name of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide (CID 163859255) is 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide.
What is the SMILES notation for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide?
The canonical SMILES for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide is Cc1cc(OCCCC2=C(C(=O)NC3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)Cc3ccccc32)cc(C)c1Cl.Cc1ccc(S(=O)(=O)NC(=O)c2cccc(NC(=O)C3=C(CCCOc4cc(C)c(Cl)c(C)c4)c4cccc(-c5cccnc5C)c4C3)c2)cc1.
What is the InChIKey of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide?
The InChIKey is PBBFXMFLOJIRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38ClN3O5S.C39H39ClN2O4/c1-25-15-17-32(18-16-25)51(48,49)45-40(46)29-9-5-10-30(23-29)44-41(47)38-24-37-34(33-13-7-19-43-28(33)4)11-6-12-35(37)36(38)14-8-20-50-31-21-26(2)39(42)27(3)22-31;1-26-22-33(23-27(2)37(26)40)45-21-9-16-35-34-15-7-6-10-28(34)25-36(35)38(43)41-30-17-19-42(20-18-30)39(44)29-11-8-14-32(24-29)46-31-12-4-3-5-13-31/h5-7,9-13,15-19,21-23H,8,14,20,24H2,1-4H3,(H,44,47)(H,45,46);3-8,10-15,22-24,30H,9,16-21,25H2,1-2H3,(H,41,43).
What are the key properties of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide?
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide has a molecular weight of 1355.49 g/mol, XLogP of 16.90, 21 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]-7-(2-methyl-3-pyridinyl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[1-(3-phenoxybenzoyl)piperidin-4-yl]-1H-indene-2-carboxamide is sourced from PubChem (CID 163859255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).