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

C14H20N2O3S — CID 2231178

IUPAC(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)NC2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-4-8-13(9-5-10)16(20(3,18)19)11(2)14(17)15-12-6-7-12/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyXUCVZJFAXHGQTB-LLVKDONJSA-N
MW296.39 g/mol
LogP1.43
Rot. Bonds5

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

(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 2231178) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID2231178
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)NC2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-4-8-13(9-5-10)16(20(3,18)19)11(2)14(17)15-12-6-7-12/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyXUCVZJFAXHGQTB-LLVKDONJSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(N-methylsulfonylanilino)propanamide
CID 807275
(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
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118430
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118431

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 2231178) is (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N([C@H](C)C(=O)NC2CC2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is XUCVZJFAXHGQTB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-4-8-13(9-5-10)16(20(3,18)19)11(2)14(17)15-12-6-7-12/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 296.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2231178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).