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

C22H27FN2O3S — CID 40554659

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H27FN2O3S/c1-17(18-8-4-2-5-9-18)24-22(26)16-25(20-10-6-3-7-11-20)29(27,28)21-14-12-19(23)13-15-21/h2,4-5,8-9,12-15,17,20H,3,6-7,10-11,16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyDUNMJGYZWQEXFW-KRWDZBQOSA-N
MW418.53 g/mol
LogP4.03
Rot. Bonds7

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

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 40554659) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID40554659
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H27FN2O3S/c1-17(18-8-4-2-5-9-18)24-22(26)16-25(20-10-6-3-7-11-20)29(27,28)21-14-12-19(23)13-15-21/h2,4-5,8-9,12-15,17,20H,3,6-7,10-11,16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyDUNMJGYZWQEXFW-KRWDZBQOSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43871755
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401577
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543278
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401356
2-[benzenesulfonyl(cyclohexyl)amino]-N-pentan-2-ylacetamide
CID 21380289
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543890
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 2917007
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28548598
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (CID 40554659) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is DUNMJGYZWQEXFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-17(18-8-4-2-5-9-18)24-22(26)16-25(20-10-6-3-7-11-20)29(27,28)21-14-12-19(23)13-15-21/h2,4-5,8-9,12-15,17,20H,3,6-7,10-11,16H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 418.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 40554659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).