2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide

C14H16N2O4S2 — CID 75378791

IUPAC2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2CCc3sccc3C2C)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O4S2/c1-8-10-4-6-21-12(10)3-5-16(8)14(17)11-7-13(9(2)20-11)22(15,18)19/h4,6-8H,3,5H2,1-2H3,(H2,15,18,19)
InChIKeyXBOOIRDMYKMSST-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.06
Rot. Bonds2

About 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide

2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide (PubChem CID 75378791) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide
PubChem CID75378791
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2CCc3sccc3C2C)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O4S2/c1-8-10-4-6-21-12(10)3-5-16(8)14(17)11-7-13(9(2)20-11)22(15,18)19/h4,6-8H,3,5H2,1-2H3,(H2,15,18,19)
InChIKeyXBOOIRDMYKMSST-UHFFFAOYSA-N
XLogP2.06
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide with MolForge

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Related Compounds

2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid
CID 120820779
(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 60701291
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(2,4-dibromophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107952195
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107026700
[5-(2-chlorophenyl)furan-2-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24504582
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 55567185
(2-bromo-4-chlorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107988209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide (CID 75378791) is 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide is Cc1oc(C(=O)N2CCc3sccc3C2C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide?
The InChIKey is XBOOIRDMYKMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-8-10-4-6-21-12(10)3-5-16(8)14(17)11-7-13(9(2)20-11)22(15,18)19/h4,6-8H,3,5H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide?
2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide has a molecular weight of 340.43 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-sulfonamide is sourced from PubChem (CID 75378791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).