N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C19H22N2O3S — CID 53158864

IUPACN-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2sc(C(=O)NCc3ccc(OC)cc3)cc2C1
InChIInChI=1S/C19H22N2O3S/c1-3-18(22)21-9-8-16-14(12-21)10-17(25-16)19(23)20-11-13-4-6-15(24-2)7-5-13/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyKIKFCPCUFBTHJA-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158864) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158864
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2sc(C(=O)NCc3ccc(OC)cc3)cc2C1
InChIInChI=1S/C19H22N2O3S/c1-3-18(22)21-9-8-16-14(12-21)10-17(25-16)19(23)20-11-13-4-6-15(24-2)7-5-13/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyKIKFCPCUFBTHJA-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53159032
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156283
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24538278
1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 53158851
5-(4-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53159019
1-[5-[2-(4-aminophenyl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]propan-1-one
CID 91167271
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
4-(cyclopropanecarbonyl)-N-[(3-methoxyphenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407211
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 38805142
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46921237
5-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158913

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158864) is N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCC(=O)N1CCc2sc(C(=O)NCc3ccc(OC)cc3)cc2C1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is KIKFCPCUFBTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-18(22)21-9-8-16-14(12-21)10-17(25-16)19(23)20-11-13-4-6-15(24-2)7-5-13/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).