N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide

C19H19N5O2S — CID 27139618

IUPACN-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide
SMILESCC(C)n1nnnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19N5O2S/c1-13(2)24-19(21-22-23-24)27-12-17(25)14-8-10-16(11-9-14)20-18(26)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,26)
InChIKeyDKYOZXALRZOUMN-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.48
Rot. Bonds7

About N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide

N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide (PubChem CID 27139618) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide
PubChem CID27139618
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide
SMILESCC(C)n1nnnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19N5O2S/c1-13(2)24-19(21-22-23-24)27-12-17(25)14-8-10-16(11-9-14)20-18(26)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,26)
InChIKeyDKYOZXALRZOUMN-UHFFFAOYSA-N
XLogP3.48
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[4-[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]benzamide
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4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
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N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide
CID 18778689
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1-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]pyrrolidin-2-one
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N-[4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
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1-(3-fluoro-4-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
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N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide (CID 27139618) is N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide is CC(C)n1nnnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide?
The InChIKey is DKYOZXALRZOUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13(2)24-19(21-22-23-24)27-12-17(25)14-8-10-16(11-9-14)20-18(26)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,26).
What are the key properties of N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide?
N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide is sourced from PubChem (CID 27139618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).