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

C14H14N2O3S3 — CID 53112019

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1ccsc1CCNS(=O)(=O)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H14N2O3S3/c1-10-6-9-20-12(10)5-8-16-22(17,18)14-3-2-13(21-14)11-4-7-15-19-11/h2-4,6-7,9,16H,5,8H2,1H3
InChIKeyXZLUUYLGAGBMFS-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.29
Rot. Bonds6

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

N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53112019) has the molecular formula C14H14N2O3S3 and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID53112019
Molecular FormulaC14H14N2O3S3
Molecular Weight354.48 g/mol
Exact Mass354.02
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1ccsc1CCNS(=O)(=O)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H14N2O3S3/c1-10-6-9-20-12(10)5-8-16-22(17,18)14-3-2-13(21-14)11-4-7-15-19-11/h2-4,6-7,9,16H,5,8H2,1H3
InChIKeyXZLUUYLGAGBMFS-UHFFFAOYSA-N
XLogP3.29
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide;hydrochloride
CID 21091850
ethyl 1-[[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]piperidin-1-ium-1-carboxylate
CID 22302165
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 67970688
N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
5-(5-methylthiophen-2-yl)-1,2-oxazole
CID 45099284
N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111985
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 53112086
N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111983
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide
CID 89236259

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 53112019) is N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is Cc1ccsc1CCNS(=O)(=O)c1ccc(-c2ccno2)s1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is XZLUUYLGAGBMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S3/c1-10-6-9-20-12(10)5-8-16-22(17,18)14-3-2-13(21-14)11-4-7-15-19-11/h2-4,6-7,9,16H,5,8H2,1H3.
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53112019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).