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

C30H29N3O3S — CID 38009605

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c1
InChIInChI=1S/C30H29N3O3S/c1-22-6-4-9-27(20-22)32-37(35,36)28-17-15-26(16-18-28)31-30(34)25-13-11-23(12-14-25)21-33-19-5-8-24-7-2-3-10-29(24)33/h2-4,6-7,9-18,20,32H,5,8,19,21H2,1H3,(H,31,34)
InChIKeyJVMFNJUNZALRDX-UHFFFAOYSA-N
MW511.65 g/mol
LogP6.00
Rot. Bonds7

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

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 38009605) has the molecular formula C30H29N3O3S and a molecular weight of 511.65 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID38009605
Molecular FormulaC30H29N3O3S
Molecular Weight511.65 g/mol
Exact Mass511.19
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c1
InChIInChI=1S/C30H29N3O3S/c1-22-6-4-9-27(20-22)32-37(35,36)28-17-15-26(16-18-28)31-30(34)25-13-11-23(12-14-25)21-33-19-5-8-24-7-2-3-10-29(24)33/h2-4,6-7,9-18,20,32H,5,8,19,21H2,1H3,(H,31,34)
InChIKeyJVMFNJUNZALRDX-UHFFFAOYSA-N
XLogP6.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.65
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
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-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43876256
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 30388395
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43915643
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
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 99940050

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (CID 38009605) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is JVMFNJUNZALRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3S/c1-22-6-4-9-27(20-22)32-37(35,36)28-17-15-26(16-18-28)31-30(34)25-13-11-23(12-14-25)21-33-19-5-8-24-7-2-3-10-29(24)33/h2-4,6-7,9-18,20,32H,5,8,19,21H2,1H3,(H,31,34).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 511.65 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 38009605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).