N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide

C20H24N2O6S — CID 132666195

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(N(C(CC)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-17(20(23)21-14-6-11-18-19(12-14)28-13-27-18)22(29(3,24)25)15-7-9-16(10-8-15)26-5-2/h6-12,17H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyBKQNFWMKYDMTPL-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.00
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide

N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132666195) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
PubChem CID132666195
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(N(C(CC)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-17(20(23)21-14-6-11-18-19(12-14)28-13-27-18)22(29(3,24)25)15-7-9-16(10-8-15)26-5-2/h6-12,17H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyBKQNFWMKYDMTPL-UHFFFAOYSA-N
XLogP3.00
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide 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

(2S)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125063620
N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 125074201
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100545596
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132662747
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 6915217
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 132672211
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132670494
(2S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125074587
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide (CID 132666195) is N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide is CCOc1ccc(N(C(CC)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is BKQNFWMKYDMTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-17(20(23)21-14-6-11-18-19(12-14)28-13-27-18)22(29(3,24)25)15-7-9-16(10-8-15)26-5-2/h6-12,17H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 420.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132666195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).