4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

C20H30N8O3S — CID 55697672

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1-n1cnnn1
InChIInChI=1S/C20H30N8O3S/c1-16-8-9-17(14-19(16)28-15-21-23-24-28)22-20(29)26-10-12-27(13-11-26)32(30,31)25(2)18-6-4-3-5-7-18/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,22,29)
InChIKeySEIRFROTCRZPMH-UHFFFAOYSA-N
MW462.58 g/mol
LogP1.63
Rot. Bonds5

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55697672) has the molecular formula C20H30N8O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID55697672
Molecular FormulaC20H30N8O3S
Molecular Weight462.58 g/mol
Exact Mass462.22
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1-n1cnnn1
InChIInChI=1S/C20H30N8O3S/c1-16-8-9-17(14-19(16)28-15-21-23-24-28)22-20(29)26-10-12-27(13-11-26)32(30,31)25(2)18-6-4-3-5-7-18/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,22,29)
InChIKeySEIRFROTCRZPMH-UHFFFAOYSA-N
XLogP1.63
TPSA116.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697259
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988626
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 55699202
1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
CID 75397346
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 75524686
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697419
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86837518
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697418
(3aS,6aR)-2-[[4-methyl-3-(tetrazol-1-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122075651
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 64823717

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 55697672) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1-n1cnnn1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is SEIRFROTCRZPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O3S/c1-16-8-9-17(14-19(16)28-15-21-23-24-28)22-20(29)26-10-12-27(13-11-26)32(30,31)25(2)18-6-4-3-5-7-18/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,22,29).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55697672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).