2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

C19H21N3O3S — CID 137499285

IUPAC2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1cccs1
InChIInChI=1S/C19H21N3O3S/c1-3-8-20-18(24)13-6-7-15-14(11-13)21-17(23)10-12(2)22(15)19(25)16-5-4-9-26-16/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDKCIRHZVWARWLZ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (PubChem CID 137499285) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
PubChem CID137499285
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1cccs1
InChIInChI=1S/C19H21N3O3S/c1-3-8-20-18(24)13-6-7-15-14(11-13)21-17(23)10-12(2)22(15)19(25)16-5-4-9-26-16/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDKCIRHZVWARWLZ-UHFFFAOYSA-N
XLogP3.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The IUPAC name of 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (CID 137499285) is 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.
What is the SMILES notation for 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The canonical SMILES for 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is CCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1cccs1.
What is the InChIKey of 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The InChIKey is DKCIRHZVWARWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-8-20-18(24)13-6-7-15-14(11-13)21-17(23)10-12(2)22(15)19(25)16-5-4-9-26-16/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-N-propyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is sourced from PubChem (CID 137499285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).