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

C16H16N2O3S2 — CID 110671451

IUPACN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nc(-c2ccccc2)c(CCNS(=O)(=O)c2cccs2)o1
InChIInChI=1S/C16H16N2O3S2/c1-12-18-16(13-6-3-2-4-7-13)14(21-12)9-10-17-23(19,20)15-8-5-11-22-15/h2-8,11,17H,9-10H2,1H3
InChIKeyYJFJWNPKJBRVAH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.23
Rot. Bonds6

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

N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110671451) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110671451
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nc(-c2ccccc2)c(CCNS(=O)(=O)c2cccs2)o1
InChIInChI=1S/C16H16N2O3S2/c1-12-18-16(13-6-3-2-4-7-13)14(21-12)9-10-17-23(19,20)15-8-5-11-22-15/h2-8,11,17H,9-10H2,1H3
InChIKeyYJFJWNPKJBRVAH-UHFFFAOYSA-N
XLogP3.23
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333
N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110711995
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 110718865
N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722045
N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 9190738
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 110671451) is N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide is Cc1nc(-c2ccccc2)c(CCNS(=O)(=O)c2cccs2)o1.
What is the InChIKey of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YJFJWNPKJBRVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-12-18-16(13-6-3-2-4-7-13)14(21-12)9-10-17-23(19,20)15-8-5-11-22-15/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110671451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).