N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H16N4O3S — CID 2107354

IUPACN-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)c1
InChIInChI=1S/C15H16N4O3S/c1-9(20)10-3-2-4-11(7-10)16-13(21)8-23-15-18-17-14(22)19(15)12-5-6-12/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,22)
InChIKeyPWXQMQQEHPMTMP-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.84
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2107354) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2107354
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)c1
InChIInChI=1S/C15H16N4O3S/c1-9(20)10-3-2-4-11(7-10)16-13(21)8-23-15-18-17-14(22)19(15)12-5-6-12/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,22)
InChIKeyPWXQMQQEHPMTMP-UHFFFAOYSA-N
XLogP1.84
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2507584
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 2999861
N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515445
2-[(4-cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide
CID 2814147
N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 7456050
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 2503835
4-cyclopropyl-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 2814829
N-(3-acetylphenyl)-2-{[11-(4-fluorophenyl)-3,4,6,9,10-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,10-pentaen-5-yl]sulfanyl}acetamide
CID 51893900
(2S)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2649434
(2R)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2649437
(2S)-N-(4-fluorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 2649475
(2R)-N-(4-fluorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 2649477

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2107354) is N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PWXQMQQEHPMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9(20)10-3-2-4-11(7-10)16-13(21)8-23-15-18-17-14(22)19(15)12-5-6-12/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,22).
What are the key properties of N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 332.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2107354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).