4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide

C19H30N2O3S — CID 2161698

IUPAC4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-5,10-11,15-16H,6-9,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyWRKLETINYAEEPT-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.85
Rot. Bonds5

About 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide

4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 2161698) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID2161698
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-5,10-11,15-16H,6-9,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyWRKLETINYAEEPT-UHFFFAOYSA-N
XLogP2.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide (CID 2161698) is 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is WRKLETINYAEEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-5,10-11,15-16H,6-9,12-13H2,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 2161698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).