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

C18H19N3O3S — CID 4105344

IUPAC6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1
InChIInChI=1S/C18H19N3O3S/c1-11(22)21-8-7-13-14(10-21)25-18(16(13)17(19)24)20-15(23)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,19,24)(H,20,23)
InChIKeyVCGUYYMHXBKXDN-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.93
Rot. Bonds4

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

6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4105344) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4105344
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1
InChIInChI=1S/C18H19N3O3S/c1-11(22)21-8-7-13-14(10-21)25-18(16(13)17(19)24)20-15(23)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,19,24)(H,20,23)
InChIKeyVCGUYYMHXBKXDN-UHFFFAOYSA-N
XLogP1.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4105344) is 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is VCGUYYMHXBKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(22)21-8-7-13-14(10-21)25-18(16(13)17(19)24)20-15(23)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,19,24)(H,20,23).
What are the key properties of 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4105344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).