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

C21H28N2O3S — CID 8948215

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)15-18-8-6-17(7-9-18)14-22-21(24)20-12-10-19(11-13-20)16-27(3,25)26/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyOVGVTPXNBQCMAZ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.00
Rot. Bonds9

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

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 8948215) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID8948215
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)15-18-8-6-17(7-9-18)14-22-21(24)20-12-10-19(11-13-20)16-27(3,25)26/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyOVGVTPXNBQCMAZ-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

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55947241
N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 9224687
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
CID 9155961

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide (CID 8948215) is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is OVGVTPXNBQCMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-23(5-2)15-18-8-6-17(7-9-18)14-22-21(24)20-12-10-19(11-13-20)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]-4-(methylsulfonylmethyl)benzamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(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]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 8948215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).