2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide

C17H20N4O2S — CID 17408261

IUPAC2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
SMILESCC(Sc1nccn1Cc1ccccc1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C17H20N4O2S/c1-12(15(22)20-16(23)19-14-7-8-14)24-17-18-9-10-21(17)11-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H2,19,20,22,23)
InChIKeyLYZRDSIWFQMQDE-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.40
Rot. Bonds6

About 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide

2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide (PubChem CID 17408261) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
PubChem CID17408261
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
SMILESCC(Sc1nccn1Cc1ccccc1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C17H20N4O2S/c1-12(15(22)20-16(23)19-14-7-8-14)24-17-18-9-10-21(17)11-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H2,19,20,22,23)
InChIKeyLYZRDSIWFQMQDE-UHFFFAOYSA-N
XLogP2.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide (CID 17408261) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide is CC(Sc1nccn1Cc1ccccc1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
The InChIKey is LYZRDSIWFQMQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(15(22)20-16(23)19-14-7-8-14)24-17-18-9-10-21(17)11-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H2,19,20,22,23).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide is sourced from PubChem (CID 17408261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).