5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one

C24H22N2O4S — CID 1169734

IUPAC5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCOc1ccc(C(=O)CN2C(=O)CN=C(c3ccc(OC)cc3)c3cc(C)sc32)cc1
InChIInChI=1S/C24H22N2O4S/c1-15-12-20-23(17-6-10-19(30-3)11-7-17)25-13-22(28)26(24(20)31-15)14-21(27)16-4-8-18(29-2)9-5-16/h4-12H,13-14H2,1-3H3
InChIKeyFTDODBGGJUMZRL-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.14
Rot. Bonds6

About 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one

5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one (PubChem CID 1169734) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
PubChem CID1169734
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCOc1ccc(C(=O)CN2C(=O)CN=C(c3ccc(OC)cc3)c3cc(C)sc32)cc1
InChIInChI=1S/C24H22N2O4S/c1-15-12-20-23(17-6-10-19(30-3)11-7-17)25-13-22(28)26(24(20)31-15)14-21(27)16-4-8-18(29-2)9-5-16/h4-12H,13-14H2,1-3H3
InChIKeyFTDODBGGJUMZRL-UHFFFAOYSA-N
XLogP4.14
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one (CID 1169734) is 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one is COc1ccc(C(=O)CN2C(=O)CN=C(c3ccc(OC)cc3)c3cc(C)sc32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is FTDODBGGJUMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-15-12-20-23(17-6-10-19(30-3)11-7-17)25-13-22(28)26(24(20)31-15)14-21(27)16-4-8-18(29-2)9-5-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 434.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 1169734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).