(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C22H28N2O4S — CID 126032376

IUPAC(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-17(22(25)23-18-9-5-3-6-10-18)24(29(2,26)27)19-13-15-21(16-14-19)28-20-11-7-4-8-12-20/h4,7-8,11-18H,3,5-6,9-10H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyXOWSLTQYBMBGBO-KRWDZBQOSA-N
MW416.54 g/mol
LogP4.08
Rot. Bonds7

About (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 126032376) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID126032376
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-17(22(25)23-18-9-5-3-6-10-18)24(29(2,26)27)19-13-15-21(16-14-19)28-20-11-7-4-8-12-20/h4,7-8,11-18H,3,5-6,9-10H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyXOWSLTQYBMBGBO-KRWDZBQOSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 93486213
(2R)-N-(cycloheptylideneamino)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126033079
(2R)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126030024
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126033426
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 124577930

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 126032376) is (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is C[C@@H](C(=O)NC1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is XOWSLTQYBMBGBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(22(25)23-18-9-5-3-6-10-18)24(29(2,26)27)19-13-15-21(16-14-19)28-20-11-7-4-8-12-20/h4,7-8,11-18H,3,5-6,9-10H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 416.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 126032376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).