2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C24H31FN2O4S — CID 30401577

IUPAC2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C24H31FN2O4S/c1-3-31-22-13-15-23(16-14-22)32(29,30)27(21-7-5-4-6-8-21)17-24(28)26-18(2)19-9-11-20(25)12-10-19/h9-16,18,21H,3-8,17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyOACLUPYLUIVGMS-SFHVURJKSA-N
MW462.59 g/mol
LogP4.43
Rot. Bonds9

About 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 30401577) has the molecular formula C24H31FN2O4S and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID30401577
Molecular FormulaC24H31FN2O4S
Molecular Weight462.59 g/mol
Exact Mass462.20
IUPAC Name2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C24H31FN2O4S/c1-3-31-22-13-15-23(16-14-22)32(29,30)27(21-7-5-4-6-8-21)17-24(28)26-18(2)19-9-11-20(25)12-10-19/h9-16,18,21H,3-8,17H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyOACLUPYLUIVGMS-SFHVURJKSA-N
XLogP4.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28548598
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetamide
CID 28548561
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43871755
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543890
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43898778
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401356
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 94863870
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 30401577) is 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is OACLUPYLUIVGMS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31FN2O4S/c1-3-31-22-13-15-23(16-14-22)32(29,30)27(21-7-5-4-6-8-21)17-24(28)26-18(2)19-9-11-20(25)12-10-19/h9-16,18,21H,3-8,17H2,1-2H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 462.59 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 30401577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).