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

C17H26N2O3S — CID 848396

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-14-8-10-15(11-9-14)12-18-17(20)13-19(23(2,21)22)16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyIUIZPNYBHJDYTF-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.21
Rot. Bonds6

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

2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 848396) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID848396
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-14-8-10-15(11-9-14)12-18-17(20)13-19(23(2,21)22)16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyIUIZPNYBHJDYTF-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 848396) is 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is IUIZPNYBHJDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-8-10-15(11-9-14)12-18-17(20)13-19(23(2,21)22)16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 848396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).