N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

C19H22N2O7S — CID 1091460

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O7S/c1-25-14-5-7-16(26-2)15(9-14)21(29(3,23)24)11-19(22)20-10-13-4-6-17-18(8-13)28-12-27-17/h4-9H,10-12H2,1-3H3,(H,20,22)
InChIKeyMXQVXZRILYYTMI-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.51
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1091460) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1091460
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O7S/c1-25-14-5-7-16(26-2)15(9-14)21(29(3,23)24)11-19(22)20-10-13-4-6-17-18(8-13)28-12-27-17/h4-9H,10-12H2,1-3H3,(H,20,22)
InChIKeyMXQVXZRILYYTMI-UHFFFAOYSA-N
XLogP1.51
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 1090676
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetamide
CID 1090564
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126392238
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 1090652
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 30882836
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99957374
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126325883
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 3955567
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (CID 1091460) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is MXQVXZRILYYTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-25-14-5-7-16(26-2)15(9-14)21(29(3,23)24)11-19(22)20-10-13-4-6-17-18(8-13)28-12-27-17/h4-9H,10-12H2,1-3H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 422.46 g/mol, XLogP of 1.51, 8 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-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1091460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).