N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide

C16H15N5OS — CID 46377491

IUPACN-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
SMILESCSc1nnnn1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H15N5OS/c1-11-3-7-13(8-4-11)17-15(22)12-5-9-14(10-6-12)21-16(23-2)18-19-20-21/h3-10H,1-2H3,(H,17,22)
InChIKeyFIDJDZZEVMGGRY-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.94
Rot. Bonds4

About N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide

N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide (PubChem CID 46377491) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
PubChem CID46377491
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
SMILESCSc1nnnn1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H15N5OS/c1-11-3-7-13(8-4-11)17-15(22)12-5-9-14(10-6-12)21-16(23-2)18-19-20-21/h3-10H,1-2H3,(H,17,22)
InChIKeyFIDJDZZEVMGGRY-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
CID 46377493
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
(2R)-N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464631
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377540
2-[methyl-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
CID 2615623
4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 9073713
(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479
(2R)-N-(4-cyanophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407792

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide (CID 46377491) is N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide is CSc1nnnn1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The InChIKey is FIDJDZZEVMGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-11-3-7-13(8-4-11)17-15(22)12-5-9-14(10-6-12)21-16(23-2)18-19-20-21/h3-10H,1-2H3,(H,17,22).
What are the key properties of N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide has a molecular weight of 325.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide is sourced from PubChem (CID 46377491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).