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

C18H18ClN3O4S — CID 43950461

IUPAC6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2
InChIInChI=1S/C18H18ClN3O4S/c1-9(23)22-6-5-11-14(8-22)27-18(15(11)16(20)24)21-17(25)12-7-10(19)3-4-13(12)26-2/h3-4,7H,5-6,8H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyLHULRGCNNCHAAN-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.67
Rot. Bonds4

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

6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43950461) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43950461
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2
InChIInChI=1S/C18H18ClN3O4S/c1-9(23)22-6-5-11-14(8-22)27-18(15(11)16(20)24)21-17(25)12-7-10(19)3-4-13(12)26-2/h3-4,7H,5-6,8H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyLHULRGCNNCHAAN-UHFFFAOYSA-N
XLogP2.67
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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-[(5-chloro-2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1239727
6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4230198
6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4119778
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
methyl 2-[(5-chloro-2-methoxybenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950083
methyl 6-acetyl-2-[(2-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3415722
dimethyl 2-[(2,5-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41017932
methyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1282917
6-acetyl-2-[(2-oxochromene-3-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5237626
methyl 3-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018133
ethyl 3-carbamoyl-2-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993535

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43950461) is 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2.
What is the InChIKey of 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is LHULRGCNNCHAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-9(23)22-6-5-11-14(8-22)27-18(15(11)16(20)24)21-17(25)12-7-10(19)3-4-13(12)26-2/h3-4,7H,5-6,8H2,1-2H3,(H2,20,24)(H,21,25).
What are the key properties of 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43950461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).