(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

C17H26N2O4S — CID 34247715

IUPAC(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13(17(20)19(2)14-7-5-4-6-8-14)18-24(21,22)16-11-9-15(23-3)10-12-16/h9-14,18H,4-8H2,1-3H3/t13-/m0/s1
InChIKeyZFEMKQBMCIWKBU-ZDUSSCGKSA-N
MW354.47 g/mol
LogP2.15
Rot. Bonds6

About (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 34247715) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID34247715
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13(17(20)19(2)14-7-5-4-6-8-14)18-24(21,22)16-11-9-15(23-3)10-12-16/h9-14,18H,4-8H2,1-3H3/t13-/m0/s1
InChIKeyZFEMKQBMCIWKBU-ZDUSSCGKSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-(4-methoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 99958114
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
(2S)-N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide
CID 8746180
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843322
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323822
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323799
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
N-cycloheptyl-N-methyl-2-(methylamino)propanamide
CID 62637285
2-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358741
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927675

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 34247715) is (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is ZFEMKQBMCIWKBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(17(20)19(2)14-7-5-4-6-8-14)18-24(21,22)16-11-9-15(23-3)10-12-16/h9-14,18H,4-8H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 354.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 34247715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).