2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide

C20H24N4O3S2 — CID 155100679

IUPAC2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2ncco2)ccc1-c1cnc(C2CCC(N)CC2)s1
InChIInChI=1S/C20H24N4O3S2/c1-2-24-29(25,26)18-11-14(19-22-9-10-27-19)5-8-16(18)17-12-23-20(28-17)13-3-6-15(21)7-4-13/h5,8-13,15,24H,2-4,6-7,21H2,1H3
InChIKeyYABCQZSMSUFFJS-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide

2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 155100679) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID155100679
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2ncco2)ccc1-c1cnc(C2CCC(N)CC2)s1
InChIInChI=1S/C20H24N4O3S2/c1-2-24-29(25,26)18-11-14(19-22-9-10-27-19)5-8-16(18)17-12-23-20(28-17)13-3-6-15(21)7-4-13/h5,8-13,15,24H,2-4,6-7,21H2,1H3
InChIKeyYABCQZSMSUFFJS-UHFFFAOYSA-N
XLogP3.75
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide (CID 155100679) is 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide is CCNS(=O)(=O)c1cc(-c2ncco2)ccc1-c1cnc(C2CCC(N)CC2)s1.
What is the InChIKey of 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is YABCQZSMSUFFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-2-24-29(25,26)18-11-14(19-22-9-10-27-19)5-8-16(18)17-12-23-20(28-17)13-3-6-15(21)7-4-13/h5,8-13,15,24H,2-4,6-7,21H2,1H3.
What are the key properties of 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide?
2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 432.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-N-ethyl-5-(1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 155100679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).