4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C14H14N2O3S3 — CID 51044020

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)NCc3cccs3)c2)c1C
InChIInChI=1S/C14H14N2O3S3/c1-9-10(2)16-19-14(9)11-6-13(21-8-11)22(17,18)15-7-12-4-3-5-20-12/h3-6,8,15H,7H2,1-2H3
InChIKeyKSGPYBZDIRTDIV-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.56
Rot. Bonds5

About 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 51044020) has the molecular formula C14H14N2O3S3 and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID51044020
Molecular FormulaC14H14N2O3S3
Molecular Weight354.48 g/mol
Exact Mass354.02
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)NCc3cccs3)c2)c1C
InChIInChI=1S/C14H14N2O3S3/c1-9-10(2)16-19-14(9)11-6-13(21-8-11)22(17,18)15-7-12-4-3-5-20-12/h3-6,8,15H,7H2,1-2H3
InChIKeyKSGPYBZDIRTDIV-UHFFFAOYSA-N
XLogP3.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 51043991
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51042984
4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 46394470
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 53133711
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 53095647
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
CID 50842759
3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46093867
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 51044020) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is Cc1noc(-c2csc(S(=O)(=O)NCc3cccs3)c2)c1C.
What is the InChIKey of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is KSGPYBZDIRTDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S3/c1-9-10(2)16-19-14(9)11-6-13(21-8-11)22(17,18)15-7-12-4-3-5-20-12/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 51044020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).