N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide

C24H23N3O4S — CID 75395066

IUPACN-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C24H23N3O4S/c1-32(30,31)27-16-15-26(17-20-9-5-6-10-22(20)27)24(29)19-11-13-21(14-12-19)25-23(28)18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,28)
InChIKeyRNTHOHNCHZPMBL-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide

N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide (PubChem CID 75395066) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide
PubChem CID75395066
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C24H23N3O4S/c1-32(30,31)27-16-15-26(17-20-9-5-6-10-22(20)27)24(29)19-11-13-21(14-12-19)25-23(28)18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,28)
InChIKeyRNTHOHNCHZPMBL-UHFFFAOYSA-N
XLogP3.36
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]prop-2-enamide
CID 166403637
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
CID 34221114
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide (CID 75395066) is N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide is CS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)Cc2ccccc21.
What is the InChIKey of N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide?
The InChIKey is RNTHOHNCHZPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-32(30,31)27-16-15-26(17-20-9-5-6-10-22(20)27)24(29)19-11-13-21(14-12-19)25-23(28)18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,28).
What are the key properties of N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide?
N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 75395066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).