N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C18H20N2O7S — CID 1259914

IUPACN-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N2O7S/c1-20(28(22,23)17-9-13(24-2)5-7-15(17)25-3)10-18(21)19-12-4-6-14-16(8-12)27-11-26-14/h4-9H,10-11H2,1-3H3,(H,19,21)
InChIKeySMFMBUOZQQTRRW-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.69
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 1259914) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID1259914
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N2O7S/c1-20(28(22,23)17-9-13(24-2)5-7-15(17)25-3)10-18(21)19-12-4-6-14-16(8-12)27-11-26-14/h4-9H,10-11H2,1-3H3,(H,19,21)
InChIKeySMFMBUOZQQTRRW-UHFFFAOYSA-N
XLogP1.69
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide 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

4-[(1,3-benzodioxol-5-ylcarbamoyl)amino]-N-ethylbenzenesulfonamide
CID 2206548
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2279484
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
2-(Benzo[1,3]dioxol-5-yl-methanesulfonyl-amino)-N,N-dimethyl-acetamide
CID 967565
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 986751
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949
N-1,3-benzodioxol-5-yl-N~2~-(2-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 1076329
N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1077681
N~1~-1,3-benzodioxol-5-yl-N~2~-benzyl-N~2~-(methylsulfonyl)glycinamide
CID 1082608
N-Benzo[1,3]dioxol-5-yl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-acetamide
CID 1082964
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 1085423
Cambridge id 6403862
CID 1137961

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 1259914) is N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is SMFMBUOZQQTRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-20(28(22,23)17-9-13(24-2)5-7-15(17)25-3)10-18(21)19-12-4-6-14-16(8-12)27-11-26-14/h4-9H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 408.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1259914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).