2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

C24H26N2O6S2 — CID 46762832

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H26N2O6S2/c1-16(33-20-11-14-22(31-3)23(15-20)32-4)24(27)25-17-7-12-21(13-8-17)34(28,29)26-18-5-9-19(30-2)10-6-18/h5-16,26H,1-4H3,(H,25,27)
InChIKeyAOQKFMJHEKAGLC-UHFFFAOYSA-N
MW502.61 g/mol
LogP4.63
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 46762832) has the molecular formula C24H26N2O6S2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID46762832
Molecular FormulaC24H26N2O6S2
Molecular Weight502.61 g/mol
Exact Mass502.12
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H26N2O6S2/c1-16(33-20-11-14-22(31-3)23(15-20)32-4)24(27)25-17-7-12-21(13-8-17)34(28,29)26-18-5-9-19(30-2)10-6-18/h5-16,26H,1-4H3,(H,25,27)
InChIKeyAOQKFMJHEKAGLC-UHFFFAOYSA-N
XLogP4.63
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43886626
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
(2S)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94027073
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 28565199
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94864154
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94018937
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 43875866
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
(2R)-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 92681887
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 93486819

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 46762832) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is AOQKFMJHEKAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S2/c1-16(33-20-11-14-22(31-3)23(15-20)32-4)24(27)25-17-7-12-21(13-8-17)34(28,29)26-18-5-9-19(30-2)10-6-18/h5-16,26H,1-4H3,(H,25,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 502.61 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 46762832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).