N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide

C20H16F2N2OS — CID 51129821

IUPACN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H16F2N2OS/c21-17-6-1-13(11-18(17)22)20(25)23-15-2-4-16(5-3-15)24-9-7-19-14(12-24)8-10-26-19/h1-6,8,10-11H,7,9,12H2,(H,23,25)
InChIKeyNOVXLMFCOIMEMG-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.84
Rot. Bonds3

About N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide

N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 51129821) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide
PubChem CID51129821
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H16F2N2OS/c21-17-6-1-13(11-18(17)22)20(25)23-15-2-4-16(5-3-15)24-9-7-19-14(12-24)8-10-26-19/h1-6,8,10-11H,7,9,12H2,(H,23,25)
InChIKeyNOVXLMFCOIMEMG-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]urea
CID 60612089
4-bromo-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566728
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60611860
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60611908
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide
CID 155143292
5-chloro-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 167847919
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 42470301
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620473
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 86875039
ethyl N-[3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)anilino]-3-oxopropyl]carbamate
CID 51129942
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60612010

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide (CID 51129821) is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide is O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is NOVXLMFCOIMEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c21-17-6-1-13(11-18(17)22)20(25)23-15-2-4-16(5-3-15)24-9-7-19-14(12-24)8-10-26-19/h1-6,8,10-11H,7,9,12H2,(H,23,25).
What are the key properties of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide?
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide has a molecular weight of 370.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 51129821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).