2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

C24H21N3O5S — CID 5279174

IUPAC2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1cc(S(C)(=O)=O)ccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C24H21N3O5S/c1-32-20-14-16(33(2,30)31)12-13-18(20)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKeyQFZHYISYPSMNDW-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.64
Rot. Bonds5

About 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 5279174) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID5279174
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1cc(S(C)(=O)=O)ccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C24H21N3O5S/c1-32-20-14-16(33(2,30)31)12-13-18(20)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKeyQFZHYISYPSMNDW-UHFFFAOYSA-N
XLogP2.64
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 5279174) is 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is COc1cc(S(C)(=O)=O)ccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is QFZHYISYPSMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-32-20-14-16(33(2,30)31)12-13-18(20)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 463.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 5279174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).