N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C25H29N3O3S — CID 26447378

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(CN(C)C)cc3)ccc2C)cc1
InChIInChI=1S/C25H29N3O3S/c1-18-5-13-23(14-6-18)27-32(30,31)24-15-22(12-7-19(24)2)25(29)26-16-20-8-10-21(11-9-20)17-28(3)4/h5-15,27H,16-17H2,1-4H3,(H,26,29)
InChIKeyYCGSWWSLONKDRD-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.10
Rot. Bonds8

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 26447378) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID26447378
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(CN(C)C)cc3)ccc2C)cc1
InChIInChI=1S/C25H29N3O3S/c1-18-5-13-23(14-6-18)27-32(30,31)24-15-22(12-7-19(24)2)25(29)26-16-20-8-10-21(11-9-20)17-28(3)4/h5-15,27H,16-17H2,1-4H3,(H,26,29)
InChIKeyYCGSWWSLONKDRD-UHFFFAOYSA-N
XLogP4.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 31544756
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414743

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 26447378) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(CN(C)C)cc3)ccc2C)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is YCGSWWSLONKDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-18-5-13-23(14-6-18)27-32(30,31)24-15-22(12-7-19(24)2)25(29)26-16-20-8-10-21(11-9-20)17-28(3)4/h5-15,27H,16-17H2,1-4H3,(H,26,29).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 451.59 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26447378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).