2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide

C19H22N2O4S — CID 3324324

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-15-8-10-17(11-9-15)20-19(23)13-21(26(3,24)25)18-7-5-6-16(12-18)14(2)22/h5-12H,4,13H2,1-3H3,(H,20,23)
InChIKeyXOJTUBHBVKLFIN-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.86
Rot. Bonds7

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide (PubChem CID 3324324) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
PubChem CID3324324
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-15-8-10-17(11-9-15)20-19(23)13-21(26(3,24)25)18-7-5-6-16(12-18)14(2)22/h5-12H,4,13H2,1-3H3,(H,20,23)
InChIKeyXOJTUBHBVKLFIN-UHFFFAOYSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
2-(3-acetyl-N-methylsulfonylanilino)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 126416895
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide (CID 3324324) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide?
The InChIKey is XOJTUBHBVKLFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-15-8-10-17(11-9-15)20-19(23)13-21(26(3,24)25)18-7-5-6-16(12-18)14(2)22/h5-12H,4,13H2,1-3H3,(H,20,23).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 3324324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).