2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide

C18H19N5OS — CID 652875

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H19N5OS/c24-17(19-12-11-15-7-3-1-4-8-15)14-25-18-20-21-22-23(18)13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,24)
InChIKeySNZBTIJDZIZYTJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.17
Rot. Bonds8

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 652875) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID652875
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H19N5OS/c24-17(19-12-11-15-7-3-1-4-8-15)14-25-18-20-21-22-23(18)13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,24)
InChIKeySNZBTIJDZIZYTJ-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2823496
2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
CID 562108
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
1-benzyl-4-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}piperazine
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2-(4-methyl(1,2,4-triazol-3-ylthio))-N-benzylacetamide
CID 855554
2-({4-allyl-5-[(benzylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide
CID 1022013
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4875437
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 9439245
N-[1-(4-bromophenyl)propyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 16301828
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 652875) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1nnnn1Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is SNZBTIJDZIZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(19-12-11-15-7-3-1-4-8-15)14-25-18-20-21-22-23(18)13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,24).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 652875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).