4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide

C16H14N6O2S — CID 1071312

IUPAC4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H14N6O2S/c17-15(24)11-6-8-13(9-7-11)22-16(19-20-21-22)25-10-14(23)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,24)(H,18,23)
InChIKeyWWXWLMUDBVPARO-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.49
Rot. Bonds6

About 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide

4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide (PubChem CID 1071312) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide
PubChem CID1071312
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H14N6O2S/c17-15(24)11-6-8-13(9-7-11)22-16(19-20-21-22)25-10-14(23)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,24)(H,18,23)
InChIKeyWWXWLMUDBVPARO-UHFFFAOYSA-N
XLogP1.49
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-Phenyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 692687
4-{5-[(2-methylbenzyl)thio]-1H-tetrazol-1-yl}benzamide
CID 797522
3-chloro-4-(2-(1-mesityl-1H-tetrazol-5-ylthio)acetamido)benzamide
CID 15956048
N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
4-(2-(1-mesityl-1H-tetrazol-5-ylthio)acetamido)-3-methylbenzamide
CID 15956702
4-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1330757
2-[1-(4-acetylphenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 646014
2-[1-(3-Acetyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 649899
4-[5-[(4-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 661053
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide (CID 1071312) is 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide?
The InChIKey is WWXWLMUDBVPARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c17-15(24)11-6-8-13(9-7-11)22-16(19-20-21-22)25-10-14(23)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,24)(H,18,23).
What are the key properties of 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide?
4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide has a molecular weight of 354.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzamide is sourced from PubChem (CID 1071312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).