2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide

C22H18Cl2N4O3S — CID 155522047

IUPAC2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCN(C(=O)Nc1ccccc1Cl)C2
InChIInChI=1S/C22H18Cl2N4O3S/c23-14-6-2-1-5-12(14)20(30)27-21-18(19(25)29)13-9-10-28(11-17(13)32-21)22(31)26-16-8-4-3-7-15(16)24/h1-8H,9-11H2,(H2,25,29)(H,26,31)(H,27,30)
InChIKeySXLZUMRSLMZPIN-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.00
Rot. Bonds4

About 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide

2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide (PubChem CID 155522047) has the molecular formula C22H18Cl2N4O3S and a molecular weight of 489.38 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide
PubChem CID155522047
Molecular FormulaC22H18Cl2N4O3S
Molecular Weight489.38 g/mol
Exact Mass488.05
IUPAC Name2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCN(C(=O)Nc1ccccc1Cl)C2
InChIInChI=1S/C22H18Cl2N4O3S/c23-14-6-2-1-5-12(14)20(30)27-21-18(19(25)29)13-9-10-28(11-17(13)32-21)22(31)26-16-8-4-3-7-15(16)24/h1-8H,9-11H2,(H2,25,29)(H,26,31)(H,27,30)
InChIKeySXLZUMRSLMZPIN-UHFFFAOYSA-N
XLogP5.00
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-[(2,4-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3264153
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
ethyl 6-acetyl-2-[(2-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4667439
ethyl 3-carbamoyl-2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3320130
2-[(2-chlorobenzoyl)amino]-6-(2,3-dimethoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124682
methyl 3-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018133
6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4119778
6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950461
6-acetyl-2-[(2-oxochromene-3-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5237626
2-[(5-nitrothiophene-2-carbonyl)amino]-6-N-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide
CID 86577297
(5S)-2-[(2-chlorobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090879
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide (CID 155522047) is 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide is NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCN(C(=O)Nc1ccccc1Cl)C2.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide?
The InChIKey is SXLZUMRSLMZPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3S/c23-14-6-2-1-5-12(14)20(30)27-21-18(19(25)29)13-9-10-28(11-17(13)32-21)22(31)26-16-8-4-3-7-15(16)24/h1-8H,9-11H2,(H2,25,29)(H,26,31)(H,27,30).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide?
2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide has a molecular weight of 489.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide is sourced from PubChem (CID 155522047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).