2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

C13H12N2O3S3 — CID 53079512

IUPAC2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C13H12N2O3S3/c1-9-13(7-12(20-9)11-4-5-14-18-11)21(16,17)15-8-10-3-2-6-19-10/h2-7,15H,8H2,1H3
InChIKeySIGFDOSJFMBOGI-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 53079512) has the molecular formula C13H12N2O3S3 and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID53079512
Molecular FormulaC13H12N2O3S3
Molecular Weight340.45 g/mol
Exact Mass340.00
IUPAC Name2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C13H12N2O3S3/c1-9-13(7-12(20-9)11-4-5-14-18-11)21(16,17)15-8-10-3-2-6-19-10/h2-7,15H,8H2,1H3
InChIKeySIGFDOSJFMBOGI-UHFFFAOYSA-N
XLogP3.25
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Thiophen-2-YL)-1,2-oxazole
CID 12049986
1-{[5-(5-Isoxazolyl)-2-thienyl]sulfonyl}piperidine
CID 1471911
N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 45106785
5-(5-Thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 18525655
5-(1,2-Oxazol-5-yl)thiophene-2-carbothioamide
CID 18525659
N-ethyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936243
5-[5-(Pyrrolidin-1-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
CID 21039664
5-(5-Methylthiophen-2-yl)isoxazole
CID 45099284
N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 21039667
2-Methyl-N-[2-(thiophen-2-YL)ethyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophene-3-sulfonamide
CID 50839424
2-Methyl-N-[(thiophen-2-YL)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophene-3-sulfonamide
CID 50840153
2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (CID 53079512) is 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is Cc1sc(-c2ccno2)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is SIGFDOSJFMBOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S3/c1-9-13(7-12(20-9)11-4-5-14-18-11)21(16,17)15-8-10-3-2-6-19-10/h2-7,15H,8H2,1H3.
What are the key properties of 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).