N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide

C17H17N3O4S — CID 3423822

IUPACN-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H17N3O4S/c1-12(21)18-13-6-8-14(9-7-13)25(23,24)20-11-10-17(22)19-15-4-2-3-5-16(15)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyAYORUKNHTTZRIH-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.18
Rot. Bonds3

About N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide

N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide (PubChem CID 3423822) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide
PubChem CID3423822
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H17N3O4S/c1-12(21)18-13-6-8-14(9-7-13)25(23,24)20-11-10-17(22)19-15-4-2-3-5-16(15)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyAYORUKNHTTZRIH-UHFFFAOYSA-N
XLogP2.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thaumatin
CID 1151816
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
N-[4-[methyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 974694
2-Azepan-1-yl-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
CID 1152663
5-[(2,4-difluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814935
4-[(2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)sulfonyl]benzonitrile
CID 2814936
5-[(3-fluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814937
3-(benzenesulfonamido)-N-phenylpropanamide
CID 2978041
N-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
CID 16195467

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide (CID 3423822) is N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide?
The InChIKey is AYORUKNHTTZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12(21)18-13-6-8-14(9-7-13)25(23,24)20-11-10-17(22)19-15-4-2-3-5-16(15)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide?
N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 3423822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).