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

C14H14N2O4S2 — CID 51043991

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)NCc3ccco3)c2)c1C
InChIInChI=1S/C14H14N2O4S2/c1-9-10(2)16-20-14(9)11-6-13(21-8-11)22(17,18)15-7-12-4-3-5-19-12/h3-6,8,15H,7H2,1-2H3
InChIKeyULLLNLKVDPUJLP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.09
Rot. Bonds5

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

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 51043991) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID51043991
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)NCc3ccco3)c2)c1C
InChIInChI=1S/C14H14N2O4S2/c1-9-10(2)16-20-14(9)11-6-13(21-8-11)22(17,18)15-7-12-4-3-5-19-12/h3-6,8,15H,7H2,1-2H3
InChIKeyULLLNLKVDPUJLP-UHFFFAOYSA-N
XLogP3.09
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 51044020
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 46380290
N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51042984
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 51044840
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 91811051
2-amino-N-(furan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 91812357
N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104479
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide
CID 53059989
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (CID 51043991) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is Cc1noc(-c2csc(S(=O)(=O)NCc3ccco3)c2)c1C.
What is the InChIKey of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is ULLLNLKVDPUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-9-10(2)16-20-14(9)11-6-13(21-8-11)22(17,18)15-7-12-4-3-5-19-12/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 3.09, 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-(furan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 51043991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).