2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide

C24H32N2O5S — CID 41263670

IUPAC2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C2CCCCC2)cc1OC
InChIInChI=1S/C24H32N2O5S/c1-18(19-10-6-4-7-11-19)25-24(27)17-26(20-12-8-5-9-13-20)32(28,29)21-14-15-22(30-2)23(16-21)31-3/h4,6-7,10-11,14-16,18,20H,5,8-9,12-13,17H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyLUGUUQHVGSGRLI-SFHVURJKSA-N
MW460.60 g/mol
LogP3.90
Rot. Bonds9

About 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 41263670) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID41263670
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C2CCCCC2)cc1OC
InChIInChI=1S/C24H32N2O5S/c1-18(19-10-6-4-7-11-19)25-24(27)17-26(20-12-8-5-9-13-20)32(28,29)21-14-15-22(30-2)23(16-21)31-3/h4,6-7,10-11,14-16,18,20H,5,8-9,12-13,17H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyLUGUUQHVGSGRLI-SFHVURJKSA-N
XLogP3.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871818
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544345
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43871822
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861484
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543278
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126010855
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401454
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543890
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43871755

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (CID 41263670) is 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C2CCCCC2)cc1OC.
What is the InChIKey of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is LUGUUQHVGSGRLI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-18(19-10-6-4-7-11-19)25-24(27)17-26(20-12-8-5-9-13-20)32(28,29)21-14-15-22(30-2)23(16-21)31-3/h4,6-7,10-11,14-16,18,20H,5,8-9,12-13,17H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 41263670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).