2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide

C22H19N5OS — CID 3905236

IUPAC2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19N5OS/c1-17-12-14-20(15-13-17)27-22(23-24-25-27)29-16-21(28)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyDUSUSWVMQNPPEZ-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.43
Rot. Bonds6

About 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide

2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide (PubChem CID 3905236) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
PubChem CID3905236
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19N5OS/c1-17-12-14-20(15-13-17)27-22(23-24-25-27)29-16-21(28)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyDUSUSWVMQNPPEZ-UHFFFAOYSA-N
XLogP4.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 2610496
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
N-ethyl-N-(4-fluorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684606
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615643
N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 30552387
2-[methyl-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
CID 2615623
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 52558632
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42067106
N-methyl-N-[(4-methylphenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659039
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide?
The IUPAC name of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide (CID 3905236) is 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide is Cc1ccc(-n2nnnc2SCC(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide?
The InChIKey is DUSUSWVMQNPPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-17-12-14-20(15-13-17)27-22(23-24-25-27)29-16-21(28)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide?
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide has a molecular weight of 401.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide is sourced from PubChem (CID 3905236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).