N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

C27H33N3O3S — CID 31544756

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(CN(C)C)cc3)ccc2C)c(C)c1
InChIInChI=1S/C27H33N3O3S/c1-18-13-20(3)26(21(4)14-18)34(32,33)29-25-15-24(12-7-19(25)2)27(31)28-16-22-8-10-23(11-9-22)17-30(5)6/h7-15,29H,16-17H2,1-6H3,(H,28,31)
InChIKeyNNHLGDSKXSSBKY-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.71
Rot. Bonds8

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 31544756) has the molecular formula C27H33N3O3S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
PubChem CID31544756
Molecular FormulaC27H33N3O3S
Molecular Weight479.65 g/mol
Exact Mass479.22
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(CN(C)C)cc3)ccc2C)c(C)c1
InChIInChI=1S/C27H33N3O3S/c1-18-13-20(3)26(21(4)14-18)34(32,33)29-25-15-24(12-7-19(25)2)27(31)28-16-22-8-10-23(11-9-22)17-30(5)6/h7-15,29H,16-17H2,1-6H3,(H,28,31)
InChIKeyNNHLGDSKXSSBKY-UHFFFAOYSA-N
XLogP4.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide with MolForge

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 43016594
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylsulfonylbenzamide
CID 26454671
3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide
CID 86993613
N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
CID 91394925
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (CID 31544756) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(CN(C)C)cc3)ccc2C)c(C)c1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is NNHLGDSKXSSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3S/c1-18-13-20(3)26(21(4)14-18)34(32,33)29-25-15-24(12-7-19(25)2)27(31)28-16-22-8-10-23(11-9-22)17-30(5)6/h7-15,29H,16-17H2,1-6H3,(H,28,31).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 479.65 g/mol, XLogP of 4.71, 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-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 31544756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).