(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide

C14H18N2O2S — CID 94214646

IUPAC(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(S[C@H](C)C(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O2S/c1-9-4-3-5-12(8-9)19-10(2)13(17)16-14(18)15-11-6-7-11/h3-5,8,10-11H,6-7H2,1-2H3,(H2,15,16,17,18)/t10-/m1/s1
InChIKeyMIALEHNBEMVTKK-SNVBAGLBSA-N
MW278.38 g/mol
LogP2.46
Rot. Bonds4

About (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide

(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide (PubChem CID 94214646) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
PubChem CID94214646
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(S[C@H](C)C(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O2S/c1-9-4-3-5-12(8-9)19-10(2)13(17)16-14(18)15-11-6-7-11/h3-5,8,10-11H,6-7H2,1-2H3,(H2,15,16,17,18)/t10-/m1/s1
InChIKeyMIALEHNBEMVTKK-SNVBAGLBSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889695
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
S-(3-methylphenyl) N-cyclopropylcarbamothioate
CID 54518553
(2S)-N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 8988675
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
CID 64665320

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide (CID 94214646) is (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide is Cc1cccc(S[C@H](C)C(=O)NC(=O)NC2CC2)c1.
What is the InChIKey of (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is MIALEHNBEMVTKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-4-3-5-12(8-9)19-10(2)13(17)16-14(18)15-11-6-7-11/h3-5,8,10-11H,6-7H2,1-2H3,(H2,15,16,17,18)/t10-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 278.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 94214646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).