6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H23N3O6S — CID 4230198

IUPAC6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc(OC)c1OC
InChIInChI=1S/C20H23N3O6S/c1-10(24)23-6-5-12-15(9-23)30-20(16(12)18(21)25)22-19(26)11-7-13(27-2)17(29-4)14(8-11)28-3/h7-8H,5-6,9H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyZGOUDKFAVNNPGG-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.03
Rot. Bonds6

About 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4230198) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4230198
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc(OC)c1OC
InChIInChI=1S/C20H23N3O6S/c1-10(24)23-6-5-12-15(9-23)30-20(16(12)18(21)25)22-19(26)11-7-13(27-2)17(29-4)14(8-11)28-3/h7-8H,5-6,9H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyZGOUDKFAVNNPGG-UHFFFAOYSA-N
XLogP2.03
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950461
2-[(3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1159707
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
6-acetyl-2-[(2,4-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3264153
(5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7012950
6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4119778
ethyl 3-carbamoyl-2-[(3,5-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3540276
ethyl 6-acetyl-2-[(3,5-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950200
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806268
6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3602420
2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2533931
methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7588827

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4230198) is 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc(OC)c1OC.
What is the InChIKey of 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is ZGOUDKFAVNNPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-10(24)23-6-5-12-15(9-23)30-20(16(12)18(21)25)22-19(26)11-7-13(27-2)17(29-4)14(8-11)28-3/h7-8H,5-6,9H2,1-4H3,(H2,21,25)(H,22,26).
What are the key properties of 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4230198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).