N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide

C20H21FN2O2S — CID 53167280

IUPACN-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H21FN2O2S/c1-12(2)11-23-8-7-16-18(20(23)25)17(13(3)26-16)19(24)22-10-14-5-4-6-15(21)9-14/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyCBIPCUVCRBYAOL-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.10
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide

N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide (PubChem CID 53167280) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
PubChem CID53167280
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H21FN2O2S/c1-12(2)11-23-8-7-16-18(20(23)25)17(13(3)26-16)19(24)22-10-14-5-4-6-15(21)9-14/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyCBIPCUVCRBYAOL-UHFFFAOYSA-N
XLogP4.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,2-dimethyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 87051579
N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
CID 53167256
N-[(3-fluorophenyl)methyl]-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 100829706
2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
CID 53167268
2-[(3,4-difluorophenyl)methyl]-8-fluoro-N-[(3-fluorophenyl)methyl]-3-methyl-1-oxoisoquinoline-4-carboxamide
CID 91162235
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197394
8-fluoro-N-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-2-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
CID 90709678
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 154787709
8-fluoro-N-[(3-fluorophenyl)methyl]-3-methyl-2-(1,2-oxazol-5-ylmethyl)-1-oxoisoquinoline-4-carboxamide
CID 90977497

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide (CID 53167280) is N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide is Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is CBIPCUVCRBYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-12(2)11-23-8-7-16-18(20(23)25)17(13(3)26-16)19(24)22-10-14-5-4-6-15(21)9-14/h4-9,12H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53167280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).