N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

C17H20N4O2S — CID 51279989

IUPACN-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C17H20N4O2S/c1-11-4-3-5-14(10-11)21-9-8-18-17(21)24-12(2)15(22)20-16(23)19-13-6-7-13/h3-5,8-10,12-13H,6-7H2,1-2H3,(H2,19,20,22,23)
InChIKeyLYTQTBVMHKOFRH-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.65
Rot. Bonds5

About N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 51279989) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID51279989
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C17H20N4O2S/c1-11-4-3-5-14(10-11)21-9-8-18-17(21)24-12(2)15(22)20-16(23)19-13-6-7-13/h3-5,8-10,12-13H,6-7H2,1-2H3,(H2,19,20,22,23)
InChIKeyLYTQTBVMHKOFRH-UHFFFAOYSA-N
XLogP2.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
(2S)-N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51481324
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40730777
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 17408261
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 51279989) is N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1cccc(-n2ccnc2SC(C)C(=O)NC(=O)NC2CC2)c1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is LYTQTBVMHKOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-4-3-5-14(10-11)21-9-8-18-17(21)24-12(2)15(22)20-16(23)19-13-6-7-13/h3-5,8-10,12-13H,6-7H2,1-2H3,(H2,19,20,22,23).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 344.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51279989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).