N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide

C13H18N2O3S2 — CID 110641335

IUPACN-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C13H18N2O3S2/c1-3-9-20(16,17)14-7-6-11-10(2)18-13(15-11)12-5-4-8-19-12/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyGADSVGOHMHOZRY-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide

N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide (PubChem CID 110641335) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
PubChem CID110641335
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC NameN-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C13H18N2O3S2/c1-3-9-20(16,17)14-7-6-11-10(2)18-13(15-11)12-5-4-8-19-12/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyGADSVGOHMHOZRY-UHFFFAOYSA-N
XLogP2.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110415497
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
CID 110641282
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110641311
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641283
2-(4-ethoxyphenyl)-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110641317
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223
3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110415454

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide (CID 110641335) is N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1nc(-c2cccs2)oc1C.
What is the InChIKey of N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide?
The InChIKey is GADSVGOHMHOZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-3-9-20(16,17)14-7-6-11-10(2)18-13(15-11)12-5-4-8-19-12/h4-5,8,14H,3,6-7,9H2,1-2H3.
What are the key properties of N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide?
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110641335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).