7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one

C20H21N3O2S — CID 3170597

IUPAC7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCc1cc2c(s1)N(CC(=O)N1CCCC1)C(=O)CN=C2c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-14-11-16-19(15-7-3-2-4-8-15)21-12-17(24)23(20(16)26-14)13-18(25)22-9-5-6-10-22/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3
InChIKeySADBBHIJWMQQJG-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.86
Rot. Bonds3

About 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one

7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one (PubChem CID 3170597) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
PubChem CID3170597
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCc1cc2c(s1)N(CC(=O)N1CCCC1)C(=O)CN=C2c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-14-11-16-19(15-7-3-2-4-8-15)21-12-17(24)23(20(16)26-14)13-18(25)22-9-5-6-10-22/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3
InChIKeySADBBHIJWMQQJG-UHFFFAOYSA-N
XLogP2.86
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one (CID 3170597) is 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one is Cc1cc2c(s1)N(CC(=O)N1CCCC1)C(=O)CN=C2c1ccccc1.
What is the InChIKey of 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is SADBBHIJWMQQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-11-16-19(15-7-3-2-4-8-15)21-12-17(24)23(20(16)26-14)13-18(25)22-9-5-6-10-22/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3.
What are the key properties of 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 367.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 3170597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).