2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C16H21N5O2S — CID 857377

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-23-14-9-7-12(8-10-14)17-15(22)11-24-16-18-19-20-21(16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22)
InChIKeyCXVPXJUCJSULCQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.92
Rot. Bonds6

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 857377) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID857377
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-23-14-9-7-12(8-10-14)17-15(22)11-24-16-18-19-20-21(16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22)
InChIKeyCXVPXJUCJSULCQ-UHFFFAOYSA-N
XLogP2.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
CID 1263400
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573256
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 2024579
Butyramide, 2-[[2-(5-aminotetrazol-1-yl)acetyl]methylamino]-N-(4-methoxyphenyl)-2-methyl-
CID 3558870

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 857377) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is CXVPXJUCJSULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-23-14-9-7-12(8-10-14)17-15(22)11-24-16-18-19-20-21(16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 857377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).