3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C16H14N2O4S2 — CID 37018546

IUPAC3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H14N2O4S2/c1-11-9-23-16(17-11)18-15(19)14-12(7-8-22-14)10-24(20,21)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyYPODTUVMJYLROU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.27
Rot. Bonds5

About 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 37018546) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID37018546
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H14N2O4S2/c1-11-9-23-16(17-11)18-15(19)14-12(7-8-22-14)10-24(20,21)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyYPODTUVMJYLROU-UHFFFAOYSA-N
XLogP3.27
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30806120
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 46664615
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 35857707
methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
CID 30804496
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
CID 43054440
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466832

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 37018546) is 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1csc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is YPODTUVMJYLROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-11-9-23-16(17-11)18-15(19)14-12(7-8-22-14)10-24(20,21)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 37018546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).