2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide

C16H15N5OS — CID 949151

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H15N5OS/c1-21-16(18-19-20-21)23-11-15(22)17-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyNLPJCTBGVLOWSX-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.61
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide (PubChem CID 949151) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
PubChem CID949151
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H15N5OS/c1-21-16(18-19-20-21)23-11-15(22)17-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyNLPJCTBGVLOWSX-UHFFFAOYSA-N
XLogP2.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8002425
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
CID 8594389
2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CID 17139437
2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 1301816
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 3167043
N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 4785047
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 135676883
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide (CID 949151) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide is Cn1nnnc1SCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The InChIKey is NLPJCTBGVLOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-21-16(18-19-20-21)23-11-15(22)17-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide has a molecular weight of 325.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 949151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).