2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide

C19H24N2O3S — CID 51142121

IUPAC2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)13-20-19(22)14-21(17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyQHFXPDPHHHZEND-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.96
Rot. Bonds7

About 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide

2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 51142121) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
PubChem CID51142121
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)13-20-19(22)14-21(17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyQHFXPDPHHHZEND-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3371561
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058021
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
N-(3-methyl-1-phenylbutyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902239
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 53280413
2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide (CID 51142121) is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is QHFXPDPHHHZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(2)13-20-19(22)14-21(17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 51142121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).