N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide

C12H18N2O4S — CID 11140694

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)C(C)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-10(15)14(2)9-8-13-19(16,17)12-6-4-11(18-3)5-7-12/h4-7,13H,8-9H2,1-3H3
InChIKeyWQELSWXFDBNFGR-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.45
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide

N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide (PubChem CID 11140694) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
PubChem CID11140694
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)C(C)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-10(15)14(2)9-8-13-19(16,17)12-6-4-11(18-3)5-7-12/h4-7,13H,8-9H2,1-3H3
InChIKeyWQELSWXFDBNFGR-UHFFFAOYSA-N
XLogP0.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187
N-[3-(dimethylamino)propyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113053818
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
6-[(4-methoxyphenyl)sulfonylamino]-4-oxohexanoic acid
CID 18725228
N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113059951
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide (CID 11140694) is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide is COc1ccc(S(=O)(=O)NCCN(C)C(C)=O)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide?
The InChIKey is WQELSWXFDBNFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-10(15)14(2)9-8-13-19(16,17)12-6-4-11(18-3)5-7-12/h4-7,13H,8-9H2,1-3H3.
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide has a molecular weight of 286.35 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 11140694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).