N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H11F2N5OS — CID 807739

IUPACN-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N5OS/c16-12-7-6-10(8-13(12)17)18-14(23)9-24-15-19-20-21-22(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23)
InChIKeyFMZNEUBNXALYMY-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.67
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 807739) has the molecular formula C15H11F2N5OS and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID807739
Molecular FormulaC15H11F2N5OS
Molecular Weight347.35 g/mol
Exact Mass347.07
IUPAC NameN-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N5OS/c16-12-7-6-10(8-13(12)17)18-14(23)9-24-15-19-20-21-22(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23)
InChIKeyFMZNEUBNXALYMY-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
[5-({2-[(2,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]acetic acid
CID 714841
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 807739) is N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FMZNEUBNXALYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5OS/c16-12-7-6-10(8-13(12)17)18-14(23)9-24-15-19-20-21-22(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23).
What are the key properties of N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 347.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 807739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).