2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide

C18H19N3O2S — CID 53060535

IUPAC2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CC(c2cccs2)=Nc2ccccc21
InChIInChI=1S/C18H19N3O2S/c1-12(2)19-17(22)11-21-15-7-4-3-6-13(15)20-14(10-18(21)23)16-8-5-9-24-16/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyNCVGJFHMBAUREE-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide

2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide (PubChem CID 53060535) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide
PubChem CID53060535
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CC(c2cccs2)=Nc2ccccc21
InChIInChI=1S/C18H19N3O2S/c1-12(2)19-17(22)11-21-15-7-4-3-6-13(15)20-14(10-18(21)23)16-8-5-9-24-16/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyNCVGJFHMBAUREE-UHFFFAOYSA-N
XLogP3.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 53026661
2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53060696
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 53060518
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 53060531
2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 71822005
N-(3,4-dimethoxyphenyl)-2-(7,8-dimethyl-2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 53060637
2-[4-(2-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53002855
2-[4-(5-bromothiophen-2-yl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53026702
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 18196027
2-[4-(2,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53084831
N-(3-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 20952870
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 71822051

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide (CID 53060535) is 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)CC(c2cccs2)=Nc2ccccc21.
What is the InChIKey of 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is NCVGJFHMBAUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(2)19-17(22)11-21-15-7-4-3-6-13(15)20-14(10-18(21)23)16-8-5-9-24-16/h3-9,12H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide?
2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 341.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 53060535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).