N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C21H17N5OS — CID 2917478

IUPACN,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyFHEXPKAIBZTBIT-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.12
Rot. Bonds6

About N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2917478) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2917478
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC NameN,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyFHEXPKAIBZTBIT-UHFFFAOYSA-N
XLogP4.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
3-Phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
1,3-Bis[(1-phenyltetrazol-5-yl)sulfanyl]propan-2-one
CID 1964780
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
Cambridge id 6252533
CID 2274649
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4898224

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2917478) is N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FHEXPKAIBZTBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2.
What are the key properties of N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 387.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2917478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).