2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C20H16N6O2S — CID 5275081

IUPAC2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H16N6O2S/c21-19(28)15-9-3-4-10-16(15)22-18(27)12-29-20-23-24-25-26(20)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H2,21,28)(H,22,27)
InChIKeyQVWTTZRMXIDKIA-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.65
Rot. Bonds6

About 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide

2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 5275081) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID5275081
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC Name2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H16N6O2S/c21-19(28)15-9-3-4-10-16(15)22-18(27)12-29-20-23-24-25-26(20)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H2,21,28)(H,22,27)
InChIKeyQVWTTZRMXIDKIA-UHFFFAOYSA-N
XLogP2.65
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-Phenyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-one
CID 1067741
1-(4-Fluorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)sulfanylbutan-1-one
CID 2295273
4-(5-Phenylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071312
4-[5-[2-Oxo-2-(2-phenylanilino)ethyl]sulfanyltetrazol-1-yl]benzamide
CID 1017548
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
3-(4-Ethylphenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-one
CID 1042363
N-(3-{5-[2-(3,4-Dimethyl-phenyl)-2-oxo-ethylsulfanyl]-tetrazol-1-yl}-phenyl)-propionamide
CID 1455224
3-[[1-(3-Methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 2084553
N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 15945232
4-(2-(1-mesityl-1H-tetrazol-5-ylthio)acetamido)-3-methylbenzamide
CID 15956702
2-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)quinazolin-4(3H)-one
CID 135433297
2-[(1-Phenyltetrazol-5-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 1353956

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 5275081) is 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is QVWTTZRMXIDKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c21-19(28)15-9-3-4-10-16(15)22-18(27)12-29-20-23-24-25-26(20)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H2,21,28)(H,22,27).
What are the key properties of 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 404.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 5275081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).