N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide

C17H24N4O3S2 — CID 90542723

IUPACN-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESO=c1n(CCNS(=O)(=O)C2CCCCC2)nc(-c2cccs2)n1C1CC1
InChIInChI=1S/C17H24N4O3S2/c22-17-20(11-10-18-26(23,24)14-5-2-1-3-6-14)19-16(15-7-4-12-25-15)21(17)13-8-9-13/h4,7,12-14,18H,1-3,5-6,8-11H2
InChIKeyFMHWITKVBQWYSK-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide

N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide (PubChem CID 90542723) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide
PubChem CID90542723
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESO=c1n(CCNS(=O)(=O)C2CCCCC2)nc(-c2cccs2)n1C1CC1
InChIInChI=1S/C17H24N4O3S2/c22-17-20(11-10-18-26(23,24)14-5-2-1-3-6-14)19-16(15-7-4-12-25-15)21(17)13-8-9-13/h4,7,12-14,18H,1-3,5-6,8-11H2
InChIKeyFMHWITKVBQWYSK-UHFFFAOYSA-N
XLogP2.36
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide (CID 90542723) is N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide is O=c1n(CCNS(=O)(=O)C2CCCCC2)nc(-c2cccs2)n1C1CC1.
What is the InChIKey of N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide?
The InChIKey is FMHWITKVBQWYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c22-17-20(11-10-18-26(23,24)14-5-2-1-3-6-14)19-16(15-7-4-12-25-15)21(17)13-8-9-13/h4,7,12-14,18H,1-3,5-6,8-11H2.
What are the key properties of N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide?
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide has a molecular weight of 396.54 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexanesulfonamide is sourced from PubChem (CID 90542723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).