N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide

C20H24N2O3S — CID 86983565

IUPACN,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-22(5-2)20(24)17-8-6-15(7-9-17)14-21-19(23)16-10-12-18(13-11-16)26(3)25/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyXQTAWFNBFJCSDF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.84
Rot. Bonds7

About N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide

N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide (PubChem CID 86983565) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
PubChem CID86983565
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-22(5-2)20(24)17-8-6-15(7-9-17)14-21-19(23)16-10-12-18(13-11-16)26(3)25/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyXQTAWFNBFJCSDF-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide
CID 78855550
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide
CID 51334218
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
CID 111102347
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
CID 87025092
4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
N-[[4-(diethylcarbamoyl)phenyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020417
N-[(4-methylsulfinylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
CID 134254054
4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
CID 119712847

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide (CID 86983565) is N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide is CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide?
The InChIKey is XQTAWFNBFJCSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-22(5-2)20(24)17-8-6-15(7-9-17)14-21-19(23)16-10-12-18(13-11-16)26(3)25/h6-13H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide?
N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 86983565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).