N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H14N2O5S2 — CID 2479750

IUPACN-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O5S2/c1-16(23(18,19)14-3-2-6-22-14)8-13(17)15-10-4-5-11-12(7-10)21-9-20-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyFFNYTFUPZFFHOP-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.74
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 2479750) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID2479750
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O5S2/c1-16(23(18,19)14-3-2-6-22-14)8-13(17)15-10-4-5-11-12(7-10)21-9-20-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyFFNYTFUPZFFHOP-UHFFFAOYSA-N
XLogP1.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 1535321
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2279484
N-(3,4-Dimethoxyphenyl)-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4094700
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949
N-Benzo[1,3]dioxol-5-yl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-acetamide
CID 1082964
N-1,3-benzodioxol-5-yl-N~2~-[(2,5-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 1259914
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2121746
N-(1,3-benzodioxol-5-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 2211739
N~2~-(3,4-dimethoxyphenyl)-N-[2-(phenylsulfanyl)ethyl]-N~2~-(phenylsulfonyl)glycinamide
CID 2213888
N~2~-1,3-benzodioxol-5-yl-N~1~-{2-[(4-methylphenyl)thio]ethyl}-N~2~-(methylsulfonyl)glycinamide
CID 2223774
N~2~-1,3-benzodioxol-5-yl-N~2~-(methylsulfonyl)-N~1~-pentylglycinamide
CID 2232133

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 2479750) is N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is FFNYTFUPZFFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-16(23(18,19)14-3-2-6-22-14)8-13(17)15-10-4-5-11-12(7-10)21-9-20-11/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.74, 5 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-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 2479750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).