(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide

C17H26N2O3S — CID 92679401

IUPAC(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)19(23(4,21)22)14(2)17(20)18(3)15-7-5-6-8-15/h9-12,14-15H,5-8H2,1-4H3/t14-/m1/s1
InChIKeyYCONYBLNHKCRSA-CQSZACIVSA-N
MW338.47 g/mol
LogP2.55
Rot. Bonds5

About (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide

(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 92679401) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID92679401
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)19(23(4,21)22)14(2)17(20)18(3)15-7-5-6-8-15/h9-12,14-15H,5-8H2,1-4H3/t14-/m1/s1
InChIKeyYCONYBLNHKCRSA-CQSZACIVSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2S)-N-cyclohexyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 99958583
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 132760057
2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
(2S)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 7030050

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 92679401) is (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N([C@H](C)C(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is YCONYBLNHKCRSA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)19(23(4,21)22)14(2)17(20)18(3)15-7-5-6-8-15/h9-12,14-15H,5-8H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 92679401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).