N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide

C21H28N2O3S — CID 17478307

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)15-18-11-9-17(10-12-18)14-22-21(24)20-8-6-7-19(13-20)16-27(3,25)26/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyGQHMOTMAIJWKPW-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.00
Rot. Bonds9

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 17478307) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID17478307
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)15-18-11-9-17(10-12-18)14-22-21(24)20-8-6-7-19(13-20)16-27(3,25)26/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyGQHMOTMAIJWKPW-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)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-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 46437314
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55416490
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[(3-butoxyphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55749632
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
CID 8897183
N-[(2,4-dimethylphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 52571231
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 134061332
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylsulfonylbenzamide
CID 26454671
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide (CID 17478307) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide is CCN(CC)Cc1ccc(CNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is GQHMOTMAIJWKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-23(5-2)15-18-11-9-17(10-12-18)14-22-21(24)20-8-6-7-19(13-20)16-27(3,25)26/h6-13H,4-5,14-16H2,1-3H3,(H,22,24).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 17478307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).