N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide

C19H24N2O4S — CID 113144630

IUPACN-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-14-7-5-10-18(15(14)2)20-19(22)11-12-21(26(4,23)24)16-8-6-9-17(13-16)25-3/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyMTDVBEWZGIDJAB-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds7

About N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide

N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144630) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144630
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-14-7-5-10-18(15(14)2)20-19(22)11-12-21(26(4,23)24)16-8-6-9-17(13-16)25-3/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyMTDVBEWZGIDJAB-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113145356
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
N-(2,6-difluorophenyl)-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100745930
N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141702
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)butanamide
CID 53287609
methyl 2-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1097999
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288264
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide (CID 113144630) is N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide is COc1cccc(N(CCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is MTDVBEWZGIDJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-7-5-10-18(15(14)2)20-19(22)11-12-21(26(4,23)24)16-8-6-9-17(13-16)25-3/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide?
N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 376.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).