N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide

C22H22N4O4S — CID 70110062

IUPACN-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2Nc2ccc(NC(C)=O)cc2CN3)cc1
InChIInChI=1S/C22H22N4O4S/c1-14(27)24-16-6-11-19-15(12-16)13-23-20-4-3-5-21(22(20)25-19)26-31(28,29)18-9-7-17(30-2)8-10-18/h3-12,23,25-26H,13H2,1-2H3,(H,24,27)
InChIKeyJQCRTDFRXJGLFZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide

N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide (PubChem CID 70110062) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide
PubChem CID70110062
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2Nc2ccc(NC(C)=O)cc2CN3)cc1
InChIInChI=1S/C22H22N4O4S/c1-14(27)24-16-6-11-19-15(12-16)13-23-20-4-3-5-21(22(20)25-19)26-31(28,29)18-9-7-17(30-2)8-10-18/h3-12,23,25-26H,13H2,1-2H3,(H,24,27)
InChIKeyJQCRTDFRXJGLFZ-UHFFFAOYSA-N
XLogP4.12
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide
CID 54235410
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 24510031
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637643
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide (CID 70110062) is N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide is COc1ccc(S(=O)(=O)Nc2cccc3c2Nc2ccc(NC(C)=O)cc2CN3)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide?
The InChIKey is JQCRTDFRXJGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-14(27)24-16-6-11-19-15(12-16)13-23-20-4-3-5-21(22(20)25-19)26-31(28,29)18-9-7-17(30-2)8-10-18/h3-12,23,25-26H,13H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide?
N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide is sourced from PubChem (CID 70110062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).