2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C16H12F3N5OS — CID 1278153

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)11-5-4-6-12(9-11)20-14(25)10-26-15-21-22-23-24(15)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)
InChIKeyRFHYYAFWLORTBR-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.41
Rot. Bonds5

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1278153) has the molecular formula C16H12F3N5OS and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1278153
Molecular FormulaC16H12F3N5OS
Molecular Weight379.37 g/mol
Exact Mass379.07
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)11-5-4-6-12(9-11)20-14(25)10-26-15-21-22-23-24(15)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)
InChIKeyRFHYYAFWLORTBR-UHFFFAOYSA-N
XLogP3.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
3-Phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
4-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1330757
N-benzyl-2-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2974484
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 698450
4-(5-Phenylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071312
N-(3-Acetylamino-phenyl)-2-(1-benzyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644552
N-{3-[2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 651076
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1278153) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RFHYYAFWLORTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5OS/c17-16(18,19)11-5-4-6-12(9-11)20-14(25)10-26-15-21-22-23-24(15)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1278153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).