2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide

C17H26N2O3S — CID 848403

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-3-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeySOHKIVIGLNATMY-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.78
Rot. Bonds6

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide (PubChem CID 848403) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
PubChem CID848403
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-3-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeySOHKIVIGLNATMY-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide (CID 848403) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is SOHKIVIGLNATMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.78, 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-(2-ethylphenyl)acetamide is sourced from PubChem (CID 848403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).