2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide

C20H32N2O3S — CID 21380372

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H32N2O3S/c1-4-8-17(3)21-20(23)15-22(18-9-6-5-7-10-18)26(24,25)19-13-11-16(2)12-14-19/h11-14,17-18H,4-10,15H2,1-3H3,(H,21,23)
InChIKeyFRPOLDWATACRFJ-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.62
Rot. Bonds8

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide (PubChem CID 21380372) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
PubChem CID21380372
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H32N2O3S/c1-4-8-17(3)21-20(23)15-22(18-9-6-5-7-10-18)26(24,25)19-13-11-16(2)12-14-19/h11-14,17-18H,4-10,15H2,1-3H3,(H,21,23)
InChIKeyFRPOLDWATACRFJ-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide
CID 21380289
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30400980
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126395375
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126415535
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
CID 21372246

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide (CID 21380372) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The InChIKey is FRPOLDWATACRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-4-8-17(3)21-20(23)15-22(18-9-6-5-7-10-18)26(24,25)19-13-11-16(2)12-14-19/h11-14,17-18H,4-10,15H2,1-3H3,(H,21,23).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide has a molecular weight of 380.55 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 21380372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).