N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

C16H21N5OS — CID 1076019

IUPACN-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H21N5OS/c22-15(17-11-13-7-3-1-4-8-13)12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,22)
InChIKeyPHJJGKQBCWOIMJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.59
Rot. Bonds6

About N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1076019) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
PubChem CID1076019
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H21N5OS/c22-15(17-11-13-7-3-1-4-8-13)12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,22)
InChIKeyPHJJGKQBCWOIMJ-UHFFFAOYSA-N
XLogP2.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)thio]acetamide
CID 2823496
2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
CID 562108
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9261962
2-(4-Amino-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclohexyl-acetamide
CID 647687
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
CID 851622
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-benzylacetamide
CID 855554
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (CID 1076019) is N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PHJJGKQBCWOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-15(17-11-13-7-3-1-4-8-13)12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,22).
What are the key properties of N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1076019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).