N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

C16H21N5O2S — CID 2097187

IUPACN-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C16H21N5O2S/c1-20(12-5-3-2-4-6-12)15(23)11-24-16-17-18-19-21(16)13-7-9-14(22)10-8-13/h7-10,12,22H,2-6,11H2,1H3
InChIKeyKZLGGYPRCFPREQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.25
Rot. Bonds5

About N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (PubChem CID 2097187) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
PubChem CID2097187
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C16H21N5O2S/c1-20(12-5-3-2-4-6-12)15(23)11-24-16-17-18-19-21(16)13-7-9-14(22)10-8-13/h7-10,12,22H,2-6,11H2,1H3
InChIKeyKZLGGYPRCFPREQ-UHFFFAOYSA-N
XLogP2.25
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)morpholine
CID 859708
6-Amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2507224
7-[[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2529882
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
CID 24819888
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 753223
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1844148
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CID 857377
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2966663
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 9509555
N,N-diethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16304484
N-cyclopentyl-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}propanamide
CID 4214295

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (CID 2097187) is N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is CN(C(=O)CSc1nnnn1-c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The InChIKey is KZLGGYPRCFPREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-20(12-5-3-2-4-6-12)15(23)11-24-16-17-18-19-21(16)13-7-9-14(22)10-8-13/h7-10,12,22H,2-6,11H2,1H3.
What are the key properties of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide has a molecular weight of 347.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 2097187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).