4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide

C25H36N4O3S — CID 55666676

IUPAC4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1
InChIInChI=1S/C25H36N4O3S/c1-5-28(6-2)19-20-10-12-21(13-11-20)25(30)26-23-18-22(14-15-24(23)27(3)4)33(31,32)29-16-8-7-9-17-29/h10-15,18H,5-9,16-17,19H2,1-4H3,(H,26,30)
InChIKeyPMBCCBMTRUXFBB-UHFFFAOYSA-N
MW472.66 g/mol
LogP4.02
Rot. Bonds9

About 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide

4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide (PubChem CID 55666676) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
PubChem CID55666676
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC Name4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1
InChIInChI=1S/C25H36N4O3S/c1-5-28(6-2)19-20-10-12-21(13-11-20)25(30)26-23-18-22(14-15-24(23)27(3)4)33(31,32)29-16-8-7-9-17-29/h10-15,18H,5-9,16-17,19H2,1-4H3,(H,26,30)
InChIKeyPMBCCBMTRUXFBB-UHFFFAOYSA-N
XLogP4.02
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
4-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 31909404
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598
1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-ethylphenyl)thiourea
CID 55426927
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818859

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide (CID 55666676) is 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide is CCN(CC)Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide?
The InChIKey is PMBCCBMTRUXFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c1-5-28(6-2)19-20-10-12-21(13-11-20)25(30)26-23-18-22(14-15-24(23)27(3)4)33(31,32)29-16-8-7-9-17-29/h10-15,18H,5-9,16-17,19H2,1-4H3,(H,26,30).
What are the key properties of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide?
4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide has a molecular weight of 472.66 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide is sourced from PubChem (CID 55666676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).