N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide

C17H26N2O3S — CID 3355397

IUPACN-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)19(23(3,21)22)14(2)17(20)18-15-7-5-4-6-8-15/h9-12,14-15H,4-8H2,1-3H3,(H,18,20)
InChIKeyVNQCBZNXRMFMDW-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.60
Rot. Bonds5

About N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide

N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 3355397) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID3355397
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)19(23(3,21)22)14(2)17(20)18-15-7-5-4-6-8-15/h9-12,14-15H,4-8H2,1-3H3,(H,18,20)
InChIKeyVNQCBZNXRMFMDW-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
(2S)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 7030050
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2977082

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 3355397) is N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is VNQCBZNXRMFMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)19(23(3,21)22)14(2)17(20)18-15-7-5-4-6-8-15/h9-12,14-15H,4-8H2,1-3H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 3355397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).