N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H21N5O2S — CID 859381

IUPACN-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21N5O2S/c1-23-14-9-5-8-13(10-14)21-16(18-19-20-21)24-11-15(22)17-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,17,22)
InChIKeyKGRYSQKKJSMOAE-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.21
Rot. Bonds6

About N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 859381) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID859381
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21N5O2S/c1-23-14-9-5-8-13(10-14)21-16(18-19-20-21)24-11-15(22)17-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,17,22)
InChIKeyKGRYSQKKJSMOAE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 859381) is N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cccc(-n2nnnc2SCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KGRYSQKKJSMOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-23-14-9-5-8-13(10-14)21-16(18-19-20-21)24-11-15(22)17-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,17,22).
What are the key properties of N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 859381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).