N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide

C18H20N2O5S — CID 113141853

IUPACN-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(CCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O5S/c1-13-4-3-5-15(10-13)20(26(2,22)23)9-8-18(21)19-14-6-7-16-17(11-14)25-12-24-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyQGENJFVCSABRIB-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.52
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide

N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141853) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141853
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(CCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O5S/c1-13-4-3-5-15(10-13)20(26(2,22)23)9-8-18(21)19-14-6-7-16-17(11-14)25-12-24-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyQGENJFVCSABRIB-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(N-methylsulfonylanilino)propanamide
CID 113141566
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 6498959
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-(1,3-benzodioxol-5-yl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147284
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 1075752
3-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113146149
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1001054
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
4-(3-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 9173735
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)butanamide
CID 53282333

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide (CID 113141853) is N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide is Cc1cccc(N(CCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is QGENJFVCSABRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-4-3-5-15(10-13)20(26(2,22)23)9-8-18(21)19-14-6-7-16-17(11-14)25-12-24-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 376.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).