N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide

C24H26N2O5S2 — CID 2198266

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C24H26N2O5S2/c1-17-4-9-20(10-5-17)32-15-14-24(27)25-18-6-11-21(12-7-18)33(28,29)26-22-16-19(30-2)8-13-23(22)31-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyYXBJMDMSTRMFRE-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.93
Rot. Bonds10

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2198266) has the molecular formula C24H26N2O5S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID2198266
Molecular FormulaC24H26N2O5S2
Molecular Weight486.62 g/mol
Exact Mass486.13
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C24H26N2O5S2/c1-17-4-9-20(10-5-17)32-15-14-24(27)25-18-6-11-21(12-7-18)33(28,29)26-22-16-19(30-2)8-13-23(22)31-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyYXBJMDMSTRMFRE-UHFFFAOYSA-N
XLogP4.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 92481102
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
N-[4-({4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl}sulfamoyl)phenyl]acetamide
CID 1321618
N-(4-{[(2,5-dimethoxyphenyl)amino]sulfonyl}phenyl)-4-[(methylsulfonyl)amino]benzamide
CID 2225777
N-[2-(benzylsulfanyl)ethyl]-N~2~-(2-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2267205
N~2~-(2,5-dimethoxyphenyl)-N~1~-{2-[(4-methylbenzyl)thio]ethyl}-N~2~-(methylsulfonyl)glycinamide
CID 2283427
N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500823
N~2~-(2-methoxyphenyl)-N~1~-{2-[(4-methylbenzyl)thio]ethyl}-N~2~-(phenylsulfonyl)glycinamide
CID 2899045
N-(2,5-dimethoxyphenyl)-2-phenyl-2-(phenylthio)acetamide
CID 2905290

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 2198266) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is YXBJMDMSTRMFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S2/c1-17-4-9-20(10-5-17)32-15-14-24(27)25-18-6-11-21(12-7-18)33(28,29)26-22-16-19(30-2)8-13-23(22)31-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 486.62 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2198266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).