2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide

C17H23N3OS — CID 46629780

IUPAC2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1-n1ccnc1SC(C)C(=O)NCC(C)C
InChIInChI=1S/C17H23N3OS/c1-12(2)11-19-16(21)14(4)22-17-18-9-10-20(17)15-8-6-5-7-13(15)3/h5-10,12,14H,11H2,1-4H3,(H,19,21)
InChIKeyPICHQKZILAXGBG-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.43
Rot. Bonds6

About 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide

2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide (PubChem CID 46629780) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
PubChem CID46629780
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1-n1ccnc1SC(C)C(=O)NCC(C)C
InChIInChI=1S/C17H23N3OS/c1-12(2)11-19-16(21)14(4)22-17-18-9-10-20(17)15-8-6-5-7-13(15)3/h5-10,12,14H,11H2,1-4H3,(H,19,21)
InChIKeyPICHQKZILAXGBG-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
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
(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 40704918
(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 40675254
methyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate
CID 55492079
(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 7870866
(2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7870840
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40718117
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide (CID 46629780) is 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide is Cc1ccccc1-n1ccnc1SC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide?
The InChIKey is PICHQKZILAXGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(2)11-19-16(21)14(4)22-17-18-9-10-20(17)15-8-6-5-7-13(15)3/h5-10,12,14H,11H2,1-4H3,(H,19,21).
What are the key properties of 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide?
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide has a molecular weight of 317.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 46629780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).