N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide

C23H24N2O4S2 — CID 137353894

IUPACN-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-7-11-19(12-8-17)30-16-15-23(26)24-18-9-13-20(14-10-18)31(27,28)25-21-5-3-4-6-22(21)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyVHEIUFMZCHBCEP-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.93
Rot. Bonds9

About N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 137353894) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID137353894
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-7-11-19(12-8-17)30-16-15-23(26)24-18-9-13-20(14-10-18)31(27,28)25-21-5-3-4-6-22(21)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyVHEIUFMZCHBCEP-UHFFFAOYSA-N
XLogP4.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 126186170
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide
CID 142489777
N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254823
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 142489795
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 4963340
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55394039
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 137353894) is N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide is COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is VHEIUFMZCHBCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-17-7-11-19(12-8-17)30-16-15-23(26)24-18-9-13-20(14-10-18)31(27,28)25-21-5-3-4-6-22(21)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 456.59 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 137353894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).