(2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

C18H19N5O3S — CID 7416683

IUPAC(2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1
InChIInChI=1S/C18H19N5O3S/c1-3-19-17(25)20-16(24)14(12-8-5-4-6-9-12)27-18-22-21-15(23(18)2)13-10-7-11-26-13/h4-11,14H,3H2,1-2H3,(H2,19,20,24,25)/t14-/m0/s1
InChIKeyUYPKDQGVXSWUQR-AWEZNQCLSA-N
MW385.45 g/mol
LogP2.75
Rot. Bonds6

About (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

(2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide (PubChem CID 7416683) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
PubChem CID7416683
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1
InChIInChI=1S/C18H19N5O3S/c1-3-19-17(25)20-16(24)14(12-8-5-4-6-9-12)27-18-22-21-15(23(18)2)13-10-7-11-26-13/h4-11,14H,3H2,1-2H3,(H2,19,20,24,25)/t14-/m0/s1
InChIKeyUYPKDQGVXSWUQR-AWEZNQCLSA-N
XLogP2.75
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide with MolForge

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Related Compounds

(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 7715700
(2S)-N-(ethylcarbamoyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8892466
(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 9457472
N-benzyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18083276
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7416988
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 51235467
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 7877557
N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16513613
(2S)-N-(furan-2-ylmethyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 955200
(2S)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41096371
(2R)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41096372
(2R)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675607

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide (CID 7416683) is (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide is CCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
The InChIKey is UYPKDQGVXSWUQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-3-19-17(25)20-16(24)14(12-8-5-4-6-9-12)27-18-22-21-15(23(18)2)13-10-7-11-26-13/h4-11,14H,3H2,1-2H3,(H2,19,20,24,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
(2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 385.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 7416683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).