4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

C31H31N3O5S — CID 43876256

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c(OC)c1
InChIInChI=1S/C31H31N3O5S/c1-38-26-15-18-28(30(20-26)39-2)33-40(36,37)27-16-13-25(14-17-27)32-31(35)24-11-9-22(10-12-24)21-34-19-5-7-23-6-3-4-8-29(23)34/h3-4,6,8-18,20,33H,5,7,19,21H2,1-2H3,(H,32,35)
InChIKeyCVYZTGSLOFTIJN-UHFFFAOYSA-N
MW557.67 g/mol
LogP5.71
Rot. Bonds9

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 43876256) has the molecular formula C31H31N3O5S and a molecular weight of 557.67 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID43876256
Molecular FormulaC31H31N3O5S
Molecular Weight557.67 g/mol
Exact Mass557.20
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c(OC)c1
InChIInChI=1S/C31H31N3O5S/c1-38-26-15-18-28(30(20-26)39-2)33-40(36,37)27-16-13-25(14-17-27)32-31(35)24-11-9-22(10-12-24)21-34-19-5-7-23-6-3-4-8-29(23)34/h3-4,6,8-18,20,33H,5,7,19,21H2,1-2H3,(H,32,35)
InChIKeyCVYZTGSLOFTIJN-UHFFFAOYSA-N
XLogP5.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.67
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide with MolForge

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Related Compounds

4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43915643
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43908593
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 38009605
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 25237388
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (CID 43876256) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c(OC)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is CVYZTGSLOFTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O5S/c1-38-26-15-18-28(30(20-26)39-2)33-40(36,37)27-16-13-25(14-17-27)32-31(35)24-11-9-22(10-12-24)21-34-19-5-7-23-6-3-4-8-29(23)34/h3-4,6,8-18,20,33H,5,7,19,21H2,1-2H3,(H,32,35).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 557.67 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 43876256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).