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

C17H18N2O3S2 — CID 110641114

IUPACN-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2nc(CCNS(=O)(=O)c3cccs3)c(C)o2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-12-5-7-14(8-6-12)17-19-15(13(2)22-17)9-10-18-24(20,21)16-4-3-11-23-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyVFFVXSFXMBJMDP-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.54
Rot. Bonds6

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

N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 110641114) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
PubChem CID110641114
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2nc(CCNS(=O)(=O)c3cccs3)c(C)o2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-12-5-7-14(8-6-12)17-19-15(13(2)22-17)9-10-18-24(20,21)16-4-3-11-23-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyVFFVXSFXMBJMDP-UHFFFAOYSA-N
XLogP3.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
CID 110641335
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110671451
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 110415378
4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110415497
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide (CID 110641114) is N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide is Cc1ccc(-c2nc(CCNS(=O)(=O)c3cccs3)c(C)o2)cc1.
What is the InChIKey of N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is VFFVXSFXMBJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-12-5-7-14(8-6-12)17-19-15(13(2)22-17)9-10-18-24(20,21)16-4-3-11-23-16/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide?
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.54, 6 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-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110641114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).