(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide

C19H30N2O3S — CID 99958583

IUPAC(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCC[C@@H](C(=O)N(C)C1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-5-18(19(22)20(3)16-9-7-6-8-10-16)21(25(4,23)24)17-13-11-15(2)12-14-17/h11-14,16,18H,5-10H2,1-4H3/t18-/m0/s1
InChIKeyMAAWTQBOWXRPEY-SFHVURJKSA-N
MW366.53 g/mol
LogP3.33
Rot. Bonds6

About (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide

(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 99958583) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide
PubChem CID99958583
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCC[C@@H](C(=O)N(C)C1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-5-18(19(22)20(3)16-9-7-6-8-10-16)21(25(4,23)24)17-13-11-15(2)12-14-17/h11-14,16,18H,5-10H2,1-4H3/t18-/m0/s1
InChIKeyMAAWTQBOWXRPEY-SFHVURJKSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 92679401
(2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 94018728
(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 28632212
(2R)-N-cyclohexyl-2-(4-methoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 99958114
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 132664767
2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
(2R)-2-(4-ethyl-N-methylsulfonylanilino)butanoic acid
CID 124746692
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100521477
N-cyclohexyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30306216
N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 132760057

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide (CID 99958583) is (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide is CC[C@@H](C(=O)N(C)C1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is MAAWTQBOWXRPEY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-5-18(19(22)20(3)16-9-7-6-8-10-16)21(25(4,23)24)17-13-11-15(2)12-14-17/h11-14,16,18H,5-10H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide?
(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 366.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 99958583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).