N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide

C13H17ClN2O4S — CID 113147968

IUPACN-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-6-3-9(14)7-11(12)15-13(17)8-16(10-4-5-10)21(2,18)19/h3,6-7,10H,4-5,8H2,1-2H3,(H,15,17)
InChIKeyUMQQVFDHTJVGRR-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.71
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide (PubChem CID 113147968) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
PubChem CID113147968
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-6-3-9(14)7-11(12)15-13(17)8-16(10-4-5-10)21(2,18)19/h3,6-7,10H,4-5,8H2,1-2H3,(H,15,17)
InChIKeyUMQQVFDHTJVGRR-UHFFFAOYSA-N
XLogP1.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113148028
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 1021971
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113149007
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide (CID 113147968) is N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C1CC1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide?
The InChIKey is UMQQVFDHTJVGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-12-6-3-9(14)7-11(12)15-13(17)8-16(10-4-5-10)21(2,18)19/h3,6-7,10H,4-5,8H2,1-2H3,(H,15,17).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide has a molecular weight of 332.81 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113147968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).