N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide

C18H22N2O4S — CID 112998738

IUPACN-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)14-4-10-17(11-5-14)25(22,23)19-12-18(21)20-15-6-8-16(24-3)9-7-15/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyPRKPWIHISMVGNY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.74
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide

N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide (PubChem CID 112998738) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
PubChem CID112998738
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)14-4-10-17(11-5-14)25(22,23)19-12-18(21)20-15-6-8-16(24-3)9-7-15/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyPRKPWIHISMVGNY-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 112997229
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637643
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 9412029
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide (CID 112998738) is N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The InChIKey is PRKPWIHISMVGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(2)14-4-10-17(11-5-14)25(22,23)19-12-18(21)20-15-6-8-16(24-3)9-7-15/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112998738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).