2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide

C17H26N2O4S — CID 113153135

IUPAC2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-23-16-12-8-7-11-15(16)18-17(20)13-19(24(2,21)22)14-9-5-3-4-6-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,20)
InChIKeyAVFCXKDDSYXOPO-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.62
Rot. Bonds6

About 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide

2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 113153135) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID113153135
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-23-16-12-8-7-11-15(16)18-17(20)13-19(24(2,21)22)14-9-5-3-4-6-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,20)
InChIKeyAVFCXKDDSYXOPO-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113149007
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113148924
N-(3-chloro-2-methylphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1287742
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113147968
2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 47533845
3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137315
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide (CID 113153135) is 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(C1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is AVFCXKDDSYXOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-16-12-8-7-11-15(16)18-17(20)13-19(24(2,21)22)14-9-5-3-4-6-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,20).
What are the key properties of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 354.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 113153135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).