4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C15H14N2O3S — CID 81121274

IUPAC4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCOc1csc(C(=O)N2CC(=O)Nc3ccccc3C2)c1
InChIInChI=1S/C15H14N2O3S/c1-20-11-6-13(21-9-11)15(19)17-7-10-4-2-3-5-12(10)16-14(18)8-17/h2-6,9H,7-8H2,1H3,(H,16,18)
InChIKeyJRPWNPFQWDHDGE-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.35
Rot. Bonds2

About 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 81121274) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID81121274
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCOc1csc(C(=O)N2CC(=O)Nc3ccccc3C2)c1
InChIInChI=1S/C15H14N2O3S/c1-20-11-6-13(21-9-11)15(19)17-7-10-4-2-3-5-12(10)16-14(18)8-17/h2-6,9H,7-8H2,1H3,(H,16,18)
InChIKeyJRPWNPFQWDHDGE-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 81121274) is 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is COc1csc(C(=O)N2CC(=O)Nc3ccccc3C2)c1.
What is the InChIKey of 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is JRPWNPFQWDHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-11-6-13(21-9-11)15(19)17-7-10-4-2-3-5-12(10)16-14(18)8-17/h2-6,9H,7-8H2,1H3,(H,16,18).
What are the key properties of 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 302.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 81121274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).