N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide

C26H31N3O4S — CID 24504740

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H31N3O4S/c1-4-29(5-2)19-22-9-7-6-8-21(22)18-27-26(30)20-10-16-25(17-11-20)34(31,32)28-23-12-14-24(33-3)15-13-23/h6-17,28H,4-5,18-19H2,1-3H3,(H,27,30)
InChIKeyVFTBCYMRDDBGET-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.27
Rot. Bonds11

About N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24504740) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24504740
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H31N3O4S/c1-4-29(5-2)19-22-9-7-6-8-21(22)18-27-26(30)20-10-16-25(17-11-20)34(31,32)28-23-12-14-24(33-3)15-13-23/h6-17,28H,4-5,18-19H2,1-3H3,(H,27,30)
InChIKeyVFTBCYMRDDBGET-UHFFFAOYSA-N
XLogP4.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873
4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55692728
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24683129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 24504740) is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide is CCN(CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is VFTBCYMRDDBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-4-29(5-2)19-22-9-7-6-8-21(22)18-27-26(30)20-10-16-25(17-11-20)34(31,32)28-23-12-14-24(33-3)15-13-23/h6-17,28H,4-5,18-19H2,1-3H3,(H,27,30).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 4.27, 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-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24504740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).