N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

C13H18N2O4S — CID 894252

IUPACN-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-15(9-13(16)14-10-3-4-10)20(17,18)12-7-5-11(19-2)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyNVHXZHYKRHGBOM-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.59
Rot. Bonds6

About N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 894252) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID894252
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-15(9-13(16)14-10-3-4-10)20(17,18)12-7-5-11(19-2)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyNVHXZHYKRHGBOM-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
CID 47079939
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 894252) is N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is NVHXZHYKRHGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-15(9-13(16)14-10-3-4-10)20(17,18)12-7-5-11(19-2)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 298.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 894252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).