N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H14FN5O2S — CID 8570050

IUPACN-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccccc2)n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H14FN5O2S/c18-12-8-4-5-9-13(12)19-16(25)20-14(24)10-26-17-21-15(22-23-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,22,23)(H2,19,20,24,25)
InChIKeySOQQSNDIWAREGK-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.05
Rot. Bonds5

About N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8570050) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8570050
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC NameN-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccccc2)n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H14FN5O2S/c18-12-8-4-5-9-13(12)19-16(25)20-14(24)10-26-17-21-15(22-23-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,22,23)(H2,19,20,24,25)
InChIKeySOQQSNDIWAREGK-UHFFFAOYSA-N
XLogP3.05
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7556313
N-(2,4-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667330
N-(2-methylpropylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4045344
N-(2-phenoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2525689
N-(2-methylsulfonylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8738830
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 684403
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7398606
N-(methylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557065
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2604452
N-(2,5-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 959558
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 7398798
N-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide
CID 7896619

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8570050) is N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(-c2ccccc2)n1)NC(=O)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SOQQSNDIWAREGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c18-12-8-4-5-9-13(12)19-16(25)20-14(24)10-26-17-21-15(22-23-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,22,23)(H2,19,20,24,25).
What are the key properties of N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamoyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8570050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).