(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide

C17H22N4O2S — CID 40704918

IUPAC(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Sc1nccn1-c1ccc(C)cc1C
InChIInChI=1S/C17H22N4O2S/c1-5-18-16(23)20-15(22)13(4)24-17-19-8-9-21(17)14-7-6-11(2)10-12(14)3/h6-10,13H,5H2,1-4H3,(H2,18,20,22,23)/t13-/m1/s1
InChIKeyMIRFRMWHFQZONV-CYBMUJFWSA-N
MW346.46 g/mol
LogP2.82
Rot. Bonds5

About (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide

(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide (PubChem CID 40704918) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
PubChem CID40704918
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Sc1nccn1-c1ccc(C)cc1C
InChIInChI=1S/C17H22N4O2S/c1-5-18-16(23)20-15(22)13(4)24-17-19-8-9-21(17)14-7-6-11(2)10-12(14)3/h6-10,13H,5H2,1-4H3,(H2,18,20,22,23)/t13-/m1/s1
InChIKeyMIRFRMWHFQZONV-CYBMUJFWSA-N
XLogP2.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(4-chlorophenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18226408
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40718117
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 46629780
N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24577725
(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 40675254
2-[[3-(2,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 4850339
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870886
methyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate
CID 55492079
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide (CID 40704918) is (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@@H](C)Sc1nccn1-c1ccc(C)cc1C.
What is the InChIKey of (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide?
The InChIKey is MIRFRMWHFQZONV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-5-18-16(23)20-15(22)13(4)24-17-19-8-9-21(17)14-7-6-11(2)10-12(14)3/h6-10,13H,5H2,1-4H3,(H2,18,20,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide?
(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide has a molecular weight of 346.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 40704918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).