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

C25H29N3O4S — CID 17481816

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H29N3O4S/c1-18-5-12-22(13-6-18)27-33(30,31)24-15-21(11-14-23(24)32-4)25(29)26-16-19-7-9-20(10-8-19)17-28(2)3/h5-15,27H,16-17H2,1-4H3,(H,26,29)
InChIKeyNNGIKXHWFQSEHO-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.80
Rot. Bonds9

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

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 17481816) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID17481816
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H29N3O4S/c1-18-5-12-22(13-6-18)27-33(30,31)24-15-21(11-14-23(24)32-4)25(29)26-16-19-7-9-20(10-8-19)17-28(2)3/h5-15,27H,16-17H2,1-4H3,(H,26,29)
InChIKeyNNGIKXHWFQSEHO-UHFFFAOYSA-N
XLogP3.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55728596
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25466923

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 17481816) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is NNGIKXHWFQSEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-18-5-12-22(13-6-18)27-33(30,31)24-15-21(11-14-23(24)32-4)25(29)26-16-19-7-9-20(10-8-19)17-28(2)3/h5-15,27H,16-17H2,1-4H3,(H,26,29).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 467.59 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 17481816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).