N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide

C19H22N2O3S — CID 51334218

IUPACN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)18(22)21-16-8-4-14(5-9-16)12-20-19(23)15-6-10-17(11-7-15)25(3)24/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyGVCVAJROUSTQSY-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.95
Rot. Bonds6

About N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide

N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide (PubChem CID 51334218) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide
PubChem CID51334218
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)18(22)21-16-8-4-14(5-9-16)12-20-19(23)15-6-10-17(11-7-15)25(3)24/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyGVCVAJROUSTQSY-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
CID 86983565
3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122
4-chloro-N-[3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55510352
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-nitrobenzamide
CID 18274650
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide?
The IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide (CID 51334218) is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide?
The canonical SMILES for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide is CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide?
The InChIKey is GVCVAJROUSTQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(2)18(22)21-16-8-4-14(5-9-16)12-20-19(23)15-6-10-17(11-7-15)25(3)24/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide?
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide is sourced from PubChem (CID 51334218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).