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

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Related Compounds

4-(3-chlorothiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 80641973
4-(4-methylthiophene-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 79808712
4-(2,5-dimethylfuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365276
4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione
CID 107031711
4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 106688413
4-(6-chloropyridine-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365429
4-(2-propylpentanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 82989503
(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124596105
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 138023947
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356

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).