N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

C19H22N2O5S — CID 113063010

IUPACN-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O5S/c1-13-4-5-14(2)19(10-13)27(23,24)20-8-9-21(15(3)22)16-6-7-17-18(11-16)26-12-25-17/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyREWBFKNASPPAPX-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.36
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113063010) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113063010
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O5S/c1-13-4-5-14(2)19(10-13)27(23,24)20-8-9-21(15(3)22)16-6-7-17-18(11-16)26-12-25-17/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyREWBFKNASPPAPX-UHFFFAOYSA-N
XLogP2.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064672
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113064784
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113063092
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
CID 113062992
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060708
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
CID 113064287
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113132906

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 113063010) is N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is REWBFKNASPPAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-4-5-14(2)19(10-13)27(23,24)20-8-9-21(15(3)22)16-6-7-17-18(11-16)26-12-25-17/h4-7,10-11,20H,8-9,12H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.36, 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)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113063010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).