2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C26H28N4O4S2 — CID 2160545

IUPAC2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C26H28N4O4S2/c1-27-25(32)23-20-13-15-29(2)16-22(20)35-26(23)28-24(31)18-9-11-19(12-10-18)36(33,34)30-14-5-7-17-6-3-4-8-21(17)30/h3-4,6,8-12H,5,7,13-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyALVNWISPRKIFDT-UHFFFAOYSA-N
MW524.67 g/mol
LogP3.49
Rot. Bonds5

About 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 2160545) has the molecular formula C26H28N4O4S2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID2160545
Molecular FormulaC26H28N4O4S2
Molecular Weight524.67 g/mol
Exact Mass524.16
IUPAC Name2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C26H28N4O4S2/c1-27-25(32)23-20-13-15-29(2)16-22(20)35-26(23)28-24(31)18-9-11-19(12-10-18)36(33,34)30-14-5-7-17-6-3-4-8-21(17)30/h3-4,6,8-12H,5,7,13-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyALVNWISPRKIFDT-UHFFFAOYSA-N
XLogP3.49
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[4-[Cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 3311528
Ethyl 4-[4-[(3-carbamoyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 3496355
6-Ethyl-2-(4-((4-ethylpiperazin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 16896338
Ethyl 4-[4-({3-carbamoyl-6-ethyl-4H,5H,6H,7H-thieno[2,3-C]pyridin-2-YL}carbamoyl)benzenesulfonyl]piperazine-1-carboxylate
CID 3285956
6-isopropyl-N-methyl-2-(4-(N-methyl-N-phenylsulfamoyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 2160569
6-ethyl-N-methyl-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 3264076
2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3284133
6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3285954
6-Isopropyl-2-(4-((2-methylpiperidin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 3361723
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3381162
2-(4-(Azepan-1-ylsulfonyl)benzamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 3649732
6-isopropyl-N-methyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 4098365

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 2160545) is 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(C)C2.
What is the InChIKey of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is ALVNWISPRKIFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S2/c1-27-25(32)23-20-13-15-29(2)16-22(20)35-26(23)28-24(31)18-9-11-19(12-10-18)36(33,34)30-14-5-7-17-6-3-4-8-21(17)30/h3-4,6,8-12H,5,7,13-16H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-N,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 2160545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).