N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide

C20H14FN3O2S — CID 14208217

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1
InChIInChI=1S/C20H14FN3O2S/c21-15-7-3-1-5-13(15)17-14-6-2-4-8-16(14)22-20(26)18(23-17)24-19(25)12-9-10-27-11-12/h1-11,18H,(H,22,26)(H,24,25)
InChIKeyVJBLWEIZGABGLL-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.43
Rot. Bonds3

About N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide (PubChem CID 14208217) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide
PubChem CID14208217
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1
InChIInChI=1S/C20H14FN3O2S/c21-15-7-3-1-5-13(15)17-14-6-2-4-8-16(14)22-20(26)18(23-17)24-19(25)12-9-10-27-11-12/h1-11,18H,(H,22,26)(H,24,25)
InChIKeyVJBLWEIZGABGLL-UHFFFAOYSA-N
XLogP3.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide (CID 14208217) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide is O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccsc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide?
The InChIKey is VJBLWEIZGABGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-15-7-3-1-5-13(15)17-14-6-2-4-8-16(14)22-20(26)18(23-17)24-19(25)12-9-10-27-11-12/h1-11,18H,(H,22,26)(H,24,25).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide?
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 14208217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).