1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide

C17H23N5O3S — CID 118761633

IUPAC1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)NCCn3cnnn3)CCCCC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-26(24,25)15-7-5-14(6-8-15)17(9-3-2-4-10-17)16(23)18-11-12-22-13-19-20-21-22/h5-8,13H,2-4,9-12H2,1H3,(H,18,23)
InChIKeyZBBUDEUBHURUFL-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.09
Rot. Bonds6

About 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide

1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 118761633) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID118761633
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)NCCn3cnnn3)CCCCC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-26(24,25)15-7-5-14(6-8-15)17(9-3-2-4-10-17)16(23)18-11-12-22-13-19-20-21-22/h5-8,13H,2-4,9-12H2,1H3,(H,18,23)
InChIKeyZBBUDEUBHURUFL-UHFFFAOYSA-N
XLogP1.09
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 118763273
1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide
CID 91768534
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 134695580
N-(1-imidazol-1-ylbutan-2-yl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 131931140
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 118770787
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 53110533
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 29195577
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide (CID 118761633) is 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide is CS(=O)(=O)c1ccc(C2(C(=O)NCCn3cnnn3)CCCCC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is ZBBUDEUBHURUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-26(24,25)15-7-5-14(6-8-15)17(9-3-2-4-10-17)16(23)18-11-12-22-13-19-20-21-22/h5-8,13H,2-4,9-12H2,1H3,(H,18,23).
What are the key properties of 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide?
1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 118761633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).