2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide

C22H30N2O4S — CID 30883222

IUPAC2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C22H30N2O4S/c1-7-12-23-21(25)14-24(19-8-10-20(28-6)11-9-19)29(26,27)22-17(4)15(2)13-16(3)18(22)5/h8-11,13H,7,12,14H2,1-6H3,(H,23,25)
InChIKeyPYOWILRSOXSZEC-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.65
Rot. Bonds8

About 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide

2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide (PubChem CID 30883222) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide
PubChem CID30883222
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C22H30N2O4S/c1-7-12-23-21(25)14-24(19-8-10-20(28-6)11-9-19)29(26,27)22-17(4)15(2)13-16(3)18(22)5/h8-11,13H,7,12,14H2,1-6H3,(H,23,25)
InChIKeyPYOWILRSOXSZEC-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39358683
2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 47004382
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3737355
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30215078
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 4052422
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2287556
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51343966
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2860878

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide?
The IUPAC name of 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide (CID 30883222) is 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide?
The canonical SMILES for 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide is CCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide?
The InChIKey is PYOWILRSOXSZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-7-12-23-21(25)14-24(19-8-10-20(28-6)11-9-19)29(26,27)22-17(4)15(2)13-16(3)18(22)5/h8-11,13H,7,12,14H2,1-6H3,(H,23,25).
What are the key properties of 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide?
2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide has a molecular weight of 418.56 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide is sourced from PubChem (CID 30883222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).