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

C17H23N5OS — CID 644440

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C17H23N5OS/c23-16(18-12-11-14-7-3-1-4-8-14)13-24-17-19-20-21-22(17)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,23)
InChIKeyQVGHJJHILJICTC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.63
Rot. Bonds7

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

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 644440) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID644440
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C17H23N5OS/c23-16(18-12-11-14-7-3-1-4-8-14)13-24-17-19-20-21-22(17)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,23)
InChIKeyQVGHJJHILJICTC-UHFFFAOYSA-N
XLogP2.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.63
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-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2362783
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-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791
N-(benzylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2091512
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 652875
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 803815
N-Benzyl-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1076019

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 644440) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1nnnn1C1CCCCC1)NCCc1ccccc1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is QVGHJJHILJICTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-16(18-12-11-14-7-3-1-4-8-14)13-24-17-19-20-21-22(17)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,23).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 644440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).