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

C17H26N2O3S — CID 113153099

IUPAC2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-3-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeyLHPUMUYTUCHPTA-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.92
Rot. Bonds5

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

2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide (PubChem CID 113153099) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
PubChem CID113153099
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-3-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeyLHPUMUYTUCHPTA-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113148924
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152680
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(3-chloro-2-methylphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1287742
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[cyclopropyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113147949
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 1021971
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide (CID 113153099) is 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(C1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide?
The InChIKey is LHPUMUYTUCHPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-3-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide?
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 113153099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).