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

C17H26N2O3S — CID 94018728

IUPAC(2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-14(17(20)18(2)15-10-6-4-7-11-15)19(23(3,21)22)16-12-8-5-9-13-16/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyDILDQXJCOTWJOC-CQSZACIVSA-N
MW338.47 g/mol
LogP2.63
Rot. Bonds5

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

(2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide (PubChem CID 94018728) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide
PubChem CID94018728
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-14(17(20)18(2)15-10-6-4-7-11-15)19(23(3,21)22)16-12-8-5-9-13-16/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyDILDQXJCOTWJOC-CQSZACIVSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.63
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-2-(4-methoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 99958114
(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 28632212
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 99958583
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
N-cycloheptyl-N-methyl-2-(methylamino)propanamide
CID 62637285
N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
CID 6576966
(2R)-2-chloro-N-cyclohexyl-N-phenylpropanamide
CID 97357253
(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 124577930

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide (CID 94018728) is (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide is C[C@H](C(=O)N(C)C1CCCCC1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is DILDQXJCOTWJOC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(17(20)18(2)15-10-6-4-7-11-15)19(23(3,21)22)16-12-8-5-9-13-16/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide?
(2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-N-methyl-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 94018728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).