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

C13H18N2O3S — CID 807275

IUPAC(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-10(13(16)14-11-8-9-11)15(19(2,17)18)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyZUEAGMUNOKBOMA-SNVBAGLBSA-N
MW282.36 g/mol
LogP1.12
Rot. Bonds5

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

(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide (PubChem CID 807275) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
PubChem CID807275
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-10(13(16)14-11-8-9-11)15(19(2,17)18)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyZUEAGMUNOKBOMA-SNVBAGLBSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 131841924
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 7333372
(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 11898286
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 124721533
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99950852
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide (CID 807275) is (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide is C[C@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is ZUEAGMUNOKBOMA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(13(16)14-11-8-9-11)15(19(2,17)18)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide?
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 282.36 g/mol, XLogP of 1.12, 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-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 807275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).