2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C26H30N4O3S2 — CID 76615052

IUPAC2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1(c2cccc(S(=O)(=O)NCCc3ccccn3)c2)CC1C1CCCCC1
InChIInChI=1S/C26H30N4O3S2/c31-24(30-25-28-15-16-34-25)26(18-23(26)19-7-2-1-3-8-19)20-9-6-11-22(17-20)35(32,33)29-14-12-21-10-4-5-13-27-21/h4-6,9-11,13,15-17,19,23,29H,1-3,7-8,12,14,18H2,(H,28,30,31)
InChIKeyDZPYNSUNYILRNM-UHFFFAOYSA-N
MW510.69 g/mol
LogP4.54
Rot. Bonds9

About 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 76615052) has the molecular formula C26H30N4O3S2 and a molecular weight of 510.69 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID76615052
Molecular FormulaC26H30N4O3S2
Molecular Weight510.69 g/mol
Exact Mass510.18
IUPAC Name2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1(c2cccc(S(=O)(=O)NCCc3ccccn3)c2)CC1C1CCCCC1
InChIInChI=1S/C26H30N4O3S2/c31-24(30-25-28-15-16-34-25)26(18-23(26)19-7-2-1-3-8-19)20-9-6-11-22(17-20)35(32,33)29-14-12-21-10-4-5-13-27-21/h4-6,9-11,13,15-17,19,23,29H,1-3,7-8,12,14,18H2,(H,28,30,31)
InChIKeyDZPYNSUNYILRNM-UHFFFAOYSA-N
XLogP4.54
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.69
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 76615052) is 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nccs1)C1(c2cccc(S(=O)(=O)NCCc3ccccn3)c2)CC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is DZPYNSUNYILRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S2/c31-24(30-25-28-15-16-34-25)26(18-23(26)19-7-2-1-3-8-19)20-9-6-11-22(17-20)35(32,33)29-14-12-21-10-4-5-13-27-21/h4-6,9-11,13,15-17,19,23,29H,1-3,7-8,12,14,18H2,(H,28,30,31).
What are the key properties of 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 510.69 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(2-pyridin-2-ylethylsulfamoyl)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 76615052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).