2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide

C17H26N2O3S — CID 113153101

IUPAC2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-14-9-11-15(12-10-14)18-17(20)13-19(23(2,21)22)16-7-5-3-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyVSWCAZQVQFIRLL-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.92
Rot. Bonds5

About 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide

2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 113153101) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID113153101
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-14-9-11-15(12-10-14)18-17(20)13-19(23(2,21)22)16-7-5-3-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyVSWCAZQVQFIRLL-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-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 113152393
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967374
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
methyl 3-[[2-[cycloheptyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113153154

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide (CID 113153101) is 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C2CCCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is VSWCAZQVQFIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-9-11-15(12-10-14)18-17(20)13-19(23(2,21)22)16-7-5-3-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,18,20).
What are the key properties of 2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-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-(4-methylphenyl)acetamide is sourced from PubChem (CID 113153101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).