2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide

C17H26N2O3S — CID 17470000

IUPAC2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)19(12-17(18)20)23(21,22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H2,18,20)
InChIKeyQHQGXFZTKOGRMS-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.62
Rot. Bonds6

About 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide

2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide (PubChem CID 17470000) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide
PubChem CID17470000
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)19(12-17(18)20)23(21,22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H2,18,20)
InChIKeyQHQGXFZTKOGRMS-UHFFFAOYSA-N
XLogP2.62
TPSA80.47 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide (CID 17470000) is 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is QHQGXFZTKOGRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)19(12-17(18)20)23(21,22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H2,18,20).
What are the key properties of 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide?
2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 17470000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).