3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide

C19H24N2O4S — CID 113144695

IUPAC3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-5-4-6-16(13-15)14-20-19(22)11-12-21(26(3,23)24)17-7-9-18(25-2)10-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyJPVTWNFHVTZAQH-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.48
Rot. Bonds8

About 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide

3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113144695) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113144695
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-5-4-6-16(13-15)14-20-19(22)11-12-21(26(3,23)24)17-7-9-18(25-2)10-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyJPVTWNFHVTZAQH-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53281033
N-[[3-(methoxymethyl)phenyl]methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 60555824
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 132730352

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 113144695) is 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide is COc1ccc(N(CCC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is JPVTWNFHVTZAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-5-4-6-16(13-15)14-20-19(22)11-12-21(26(3,23)24)17-7-9-18(25-2)10-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113144695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).