(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide

C19H30N2O3S — CID 28632212

IUPAC(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCc1ccc(N([C@H](C)C(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H30N2O3S/c1-14-11-12-18(13-15(14)2)21(25(5,23)24)16(3)19(22)20(4)17-9-7-6-8-10-17/h11-13,16-17H,6-10H2,1-5H3/t16-/m1/s1
InChIKeyLOKHSIZSMZAWPW-MRXNPFEDSA-N
MW366.53 g/mol
LogP3.25
Rot. Bonds5

About (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide

(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 28632212) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID28632212
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCc1ccc(N([C@H](C)C(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H30N2O3S/c1-14-11-12-18(13-15(14)2)21(25(5,23)24)16(3)19(22)20(4)17-9-7-6-8-10-17/h11-13,16-17H,6-10H2,1-5H3/t16-/m1/s1
InChIKeyLOKHSIZSMZAWPW-MRXNPFEDSA-N
XLogP3.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.25
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-(4-methoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 99958114
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386
N-cyclohexyl-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylbutanamide
CID 99956862
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 99958583
N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 1251029
ethyl (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoate
CID 124550686
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide (CID 28632212) is (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide is Cc1ccc(N([C@H](C)C(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is LOKHSIZSMZAWPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14-11-12-18(13-15(14)2)21(25(5,23)24)16(3)19(22)20(4)17-9-7-6-8-10-17/h11-13,16-17H,6-10H2,1-5H3/t16-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 366.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 28632212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).