(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide

C19H22N4O2S — CID 42450236

IUPAC(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C19H22N4O2S/c1-12(17(24)22-18(25)21-14-7-8-14)26-19-20-11-16(23(19)15-9-10-15)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H2,21,22,24,25)/t12-/m0/s1
InChIKeyINDRRESSCDWEHP-LBPRGKRZSA-N
MW370.48 g/mol
LogP3.35
Rot. Bonds6

About (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide

(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 42450236) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID42450236
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C19H22N4O2S/c1-12(17(24)22-18(25)21-14-7-8-14)26-19-20-11-16(23(19)15-9-10-15)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H2,21,22,24,25)/t12-/m0/s1
InChIKeyINDRRESSCDWEHP-LBPRGKRZSA-N
XLogP3.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 17408261
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8723378
N-(cyclopropylcarbamoyl)-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46658577
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 17439573
N-(cyclopropylcarbamoyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 17410382
(2R)-N-(cyclopropylcarbamoyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 41082519
(2R)-N-(cyclopentylcarbamoyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 9383207
(2S)-N-(cyclopentylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738957
(2S)-N-cyclopropyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40659784
N-(cyclopropylcarbamoyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24557773
N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide (CID 42450236) is (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide is C[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is INDRRESSCDWEHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(17(24)22-18(25)21-14-7-8-14)26-19-20-11-16(23(19)15-9-10-15)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H2,21,22,24,25)/t12-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 370.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 42450236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).