(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide

C16H19N3OS — CID 31882004

IUPAC(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1ccnc1S[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C16H19N3OS/c1-11-5-3-4-6-14(11)19-10-9-17-16(19)21-12(2)15(20)18-13-7-8-13/h3-6,9-10,12-13H,7-8H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyHBAOTUMPWRZLRZ-LBPRGKRZSA-N
MW301.42 g/mol
LogP2.94
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide

(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 31882004) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID31882004
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1ccnc1S[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C16H19N3OS/c1-11-5-3-4-6-14(11)19-10-9-17-16(19)21-12(2)15(20)18-13-7-8-13/h3-6,9-10,12-13H,7-8H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyHBAOTUMPWRZLRZ-LBPRGKRZSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 46629780
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
N-(2,6-difluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236623
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55368272
N-cyclopentyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650668
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309
N-(cyclopropylcarbamoyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 17410382
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 31882004) is (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is HBAOTUMPWRZLRZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-5-3-4-6-14(11)19-10-9-17-16(19)21-12(2)15(20)18-13-7-8-13/h3-6,9-10,12-13H,7-8H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 301.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 31882004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).