2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide

C15H19N3OS — CID 47284474

IUPAC2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(C)NC(=O)C(C)n2ccnc2)cc1
InChIInChI=1S/C15H19N3OS/c1-11(13-4-6-14(20-3)7-5-13)17-15(19)12(2)18-9-8-16-10-18/h4-12H,1-3H3,(H,17,19)
InChIKeyGZYUALWVKNCABI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.04
Rot. Bonds5

About 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide

2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 47284474) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID47284474
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(C)NC(=O)C(C)n2ccnc2)cc1
InChIInChI=1S/C15H19N3OS/c1-11(13-4-6-14(20-3)7-5-13)17-15(19)12(2)18-9-8-16-10-18/h4-12H,1-3H3,(H,17,19)
InChIKeyGZYUALWVKNCABI-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
CID 96570122
(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 94446827
2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651394
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651397
3-amino-4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutanoic acid
CID 64894329
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
CID 65224904
N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
CID 174552130
2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
CID 60704182
(2R)-2-imidazol-1-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92582168

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide (CID 47284474) is 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide is CSc1ccc(C(C)NC(=O)C(C)n2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is GZYUALWVKNCABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(13-4-6-14(20-3)7-5-13)17-15(19)12(2)18-9-8-16-10-18/h4-12H,1-3H3,(H,17,19).
What are the key properties of 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 47284474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).