N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

C18H19N5OS — CID 980280

IUPACN-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CSc3nnnn3C)cc2)c1
InChIInChI=1S/C18H19N5OS/c1-12-8-13(2)10-16(9-12)19-17(24)15-6-4-14(5-7-15)11-25-18-20-21-22-23(18)3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeySOXMXFIBDRTNGE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.37
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (PubChem CID 980280) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
PubChem CID980280
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CSc3nnnn3C)cc2)c1
InChIInChI=1S/C18H19N5OS/c1-12-8-13(2)10-16(9-12)19-17(24)15-6-4-14(5-7-15)11-25-18-20-21-22-23(18)3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeySOXMXFIBDRTNGE-UHFFFAOYSA-N
XLogP3.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (CID 980280) is N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnnn3C)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The InChIKey is SOXMXFIBDRTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-8-13(2)10-16(9-12)19-17(24)15-6-4-14(5-7-15)11-25-18-20-21-22-23(18)3/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide has a molecular weight of 353.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 980280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).