N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide

C20H18N2O3S — CID 17454978

IUPACN-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCc3sccc3C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H18N2O3S/c1-13-4-5-14(11-16(13)21-19(23)17-3-2-9-25-17)20(24)22-8-6-18-15(12-22)7-10-26-18/h2-5,7,9-11H,6,8,12H2,1H3,(H,21,23)
InChIKeyGFUCBYJDHTXDHO-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.10
Rot. Bonds3

About N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide

N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 17454978) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID17454978
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCc3sccc3C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H18N2O3S/c1-13-4-5-14(11-16(13)21-19(23)17-3-2-9-25-17)20(24)22-8-6-18-15(12-22)7-10-26-18/h2-5,7,9-11H,6,8,12H2,1H3,(H,21,23)
InChIKeyGFUCBYJDHTXDHO-UHFFFAOYSA-N
XLogP4.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-oxobutanamide
CID 55895134
2-[3-(furan-2-carbonylamino)-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71234204
methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate
CID 55876306
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71894903
N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 55956380
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide (CID 17454978) is N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCc3sccc3C2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is GFUCBYJDHTXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-4-5-14(11-16(13)21-19(23)17-3-2-9-25-17)20(24)22-8-6-18-15(12-22)7-10-26-18/h2-5,7,9-11H,6,8,12H2,1H3,(H,21,23).
What are the key properties of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide?
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 17454978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).