(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

C15H18N4O2S — CID 40665651

IUPAC(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nccn1C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N4O2S/c1-11(22-15-16-8-9-19(15)2)13(20)18-14(21)17-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,17,18,20,21)/t11-/m1/s1
InChIKeySWYQKQAFDBJMHA-LLVKDONJSA-N
MW318.40 g/mol
LogP1.93
Rot. Bonds5

About (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (PubChem CID 40665651) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
PubChem CID40665651
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nccn1C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N4O2S/c1-11(22-15-16-8-9-19(15)2)13(20)18-14(21)17-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,17,18,20,21)/t11-/m1/s1
InChIKeySWYQKQAFDBJMHA-LLVKDONJSA-N
XLogP1.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423602
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
N-[(2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 51234017
N-(benzylcarbamoyl)-2-methylsulfanylpropanamide
CID 47263081
(2S)-N-(benzylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8957979
N-(benzylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51236143
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
(2R)-N-(benzylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985972
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 17408261
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (CID 40665651) is (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is C[C@@H](Sc1nccn1C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is SWYQKQAFDBJMHA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11(22-15-16-8-9-19(15)2)13(20)18-14(21)17-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,17,18,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40665651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).