2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide

C21H28N2O5S — CID 2205305

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-16(2)12-13-22-21(24)15-23(17-8-6-5-7-9-17)29(25,26)18-10-11-19(27-3)20(14-18)28-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyJSBFEWLURUTGBH-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.06
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 2205305) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide
PubChem CID2205305
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-16(2)12-13-22-21(24)15-23(17-8-6-5-7-9-17)29(25,26)18-10-11-19(27-3)20(14-18)28-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyJSBFEWLURUTGBH-UHFFFAOYSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2948005
4-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-3,4-dihydroquinoxalin-2(1H)-one
CID 5301682
3-(3,4-Dimethoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10714544
4-(4-Methoxy-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 1082645
2-(4-Methoxy-benzenesulfonylamino)-N-phenyl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 649466
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 662297
N-(4-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-N-methylacetamide
CID 742884
N~1~-(2-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 891785
N-(4-fluorophenyl)-2-[[(4-methoxyphenyl)sulfonyl](methyl)amino]acetamide
CID 982320

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide (CID 2205305) is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccccc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is JSBFEWLURUTGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-16(2)12-13-22-21(24)15-23(17-8-6-5-7-9-17)29(25,26)18-10-11-19(27-3)20(14-18)28-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 2205305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).