N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide

C19H22N2O4S — CID 55567017

IUPACN-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CN(C)C(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(15-9-11-17(12-10-15)26(3,24)25)20-18(22)13-21(2)19(23)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyMWXUWQJZNADLDO-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide

N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 55567017) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID55567017
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CN(C)C(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(15-9-11-17(12-10-15)26(3,24)25)20-18(22)13-21(2)19(23)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyMWXUWQJZNADLDO-UHFFFAOYSA-N
XLogP2.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 55552669
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
2-(N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30210835
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30176390
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30203381
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30219626
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30223744

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide (CID 55567017) is N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide is CC(NC(=O)CN(C)C(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is MWXUWQJZNADLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(15-9-11-17(12-10-15)26(3,24)25)20-18(22)13-21(2)19(23)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,20,22).
What are the key properties of N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide?
N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55567017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).