N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide

C21H22N2O3S2 — CID 7908243

IUPACN-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2C)c(C)c1
InChIInChI=1S/C21H22N2O3S2/c1-14-6-9-19(16(3)11-14)23-28(25,26)20-12-17(8-7-15(20)2)22-21(24)13-18-5-4-10-27-18/h4-12,23H,13H2,1-3H3,(H,22,24)
InChIKeyNSCAXMJDLPYURD-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.66
Rot. Bonds6

About N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide

N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide (PubChem CID 7908243) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
PubChem CID7908243
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2C)c(C)c1
InChIInChI=1S/C21H22N2O3S2/c1-14-6-9-19(16(3)11-14)23-28(25,26)20-12-17(8-7-15(20)2)22-21(24)13-18-5-4-10-27-18/h4-12,23H,13H2,1-3H3,(H,22,24)
InChIKeyNSCAXMJDLPYURD-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
CID 7908241
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 4303625
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 108573230
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 35990962
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide (CID 7908243) is N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide is Cc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2C)c(C)c1.
What is the InChIKey of N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide?
The InChIKey is NSCAXMJDLPYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-14-6-9-19(16(3)11-14)23-28(25,26)20-12-17(8-7-15(20)2)22-21(24)13-18-5-4-10-27-18/h4-12,23H,13H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide?
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide has a molecular weight of 414.55 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7908243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).