N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

C27H33N3O4S — CID 55415614

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C27H33N3O4S/c1-5-30(6-2)19-23-10-8-7-9-22(23)18-28-27(31)21-13-16-25(34-4)26(17-21)35(32,33)29-24-14-11-20(3)12-15-24/h7-17,29H,5-6,18-19H2,1-4H3,(H,28,31)
InChIKeyMWJDBOFKPLIYJE-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.58
Rot. Bonds11

About N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 55415614) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID55415614
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C27H33N3O4S/c1-5-30(6-2)19-23-10-8-7-9-22(23)18-28-27(31)21-13-16-25(34-4)26(17-21)35(32,33)29-24-14-11-20(3)12-15-24/h7-17,29H,5-6,18-19H2,1-4H3,(H,28,31)
InChIKeyMWJDBOFKPLIYJE-UHFFFAOYSA-N
XLogP4.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24504740
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26887067
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55728596
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25466923
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 55415614) is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is CCN(CC)Cc1ccccc1CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is MWJDBOFKPLIYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-5-30(6-2)19-23-10-8-7-9-22(23)18-28-27(31)21-13-16-25(34-4)26(17-21)35(32,33)29-24-14-11-20(3)12-15-24/h7-17,29H,5-6,18-19H2,1-4H3,(H,28,31).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 495.65 g/mol, XLogP of 4.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55415614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).