3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide

C17H17N5OS — CID 3503382

IUPAC3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
SMILESCc1ccccc1-n1nnnc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17N5OS/c1-13-7-5-6-10-15(13)22-17(19-20-21-22)24-12-11-16(23)18-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyXADJZKJBCRLRQS-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.09
Rot. Bonds6

About 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide

3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide (PubChem CID 3503382) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
PubChem CID3503382
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
SMILESCc1ccccc1-n1nnnc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17N5OS/c1-13-7-5-6-10-15(13)22-17(19-20-21-22)24-12-11-16(23)18-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyXADJZKJBCRLRQS-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 3678773
3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 46683632
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
CID 17394512
N-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 8686229
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46683407
N-(4-hydroxy-3-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5234701
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 35723023
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16649469
N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7647313
N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide (CID 3503382) is 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide is Cc1ccccc1-n1nnnc1SCCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is XADJZKJBCRLRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-13-7-5-6-10-15(13)22-17(19-20-21-22)24-12-11-16(23)18-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 339.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 3503382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).