N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide

C16H18N2O4S2 — CID 33026791

IUPACN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C16H18N2O4S2/c1-22-11-16(19)17-13-3-2-4-14(9-13)24(20,21)18-7-5-15-12(10-18)6-8-23-15/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,17,19)
InChIKeyIRLARAHDTQZWOM-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.08
Rot. Bonds5

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide (PubChem CID 33026791) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide
PubChem CID33026791
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C16H18N2O4S2/c1-22-11-16(19)17-13-3-2-4-14(9-13)24(20,21)18-7-5-15-12(10-18)6-8-23-15/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,17,19)
InChIKeyIRLARAHDTQZWOM-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide 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

5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 46577722
2-methoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930520
N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 46586516
methyl 7-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]heptanoate
CID 46441919
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 37359392
methyl 2-bromo-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoate
CID 55922970
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55977376
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 32919519
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 39268474
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide (CID 33026791) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide?
The InChIKey is IRLARAHDTQZWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-22-11-16(19)17-13-3-2-4-14(9-13)24(20,21)18-7-5-15-12(10-18)6-8-23-15/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,17,19).
What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide?
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide has a molecular weight of 366.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 33026791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).