(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide

C16H24N2O3S — CID 700516

IUPAC(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-13(16(19)17-14-9-5-3-6-10-14)18(22(2,20)21)15-11-7-4-8-12-15/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyVWJRLUCRTHKXAR-CYBMUJFWSA-N
MW324.45 g/mol
LogP2.29
Rot. Bonds5

About (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide

(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide (PubChem CID 700516) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
PubChem CID700516
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-13(16(19)17-14-9-5-3-6-10-14)18(22(2,20)21)15-11-7-4-8-12-15/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyVWJRLUCRTHKXAR-CYBMUJFWSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 94018728
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99950852
(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 11898286

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide (CID 700516) is (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide is C[C@H](C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is VWJRLUCRTHKXAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(16(19)17-14-9-5-3-6-10-14)18(22(2,20)21)15-11-7-4-8-12-15/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide?
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 700516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).