2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide

C17H18N2O4S — CID 42027103

IUPAC2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)15-5-3-4-6-16(15)18-11-17(21)19-13-7-9-14(10-8-13)24(2,22)23/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeyCRGSLLFWFJIMJO-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.34
Rot. Bonds6

About 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide

2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 42027103) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID42027103
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)15-5-3-4-6-16(15)18-11-17(21)19-13-7-9-14(10-8-13)24(2,22)23/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeyCRGSLLFWFJIMJO-UHFFFAOYSA-N
XLogP2.34
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
CID 60609393
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469
N-(2-acetylphenyl)-2-(4-phenylanilino)acetamide
CID 39912347
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide (CID 42027103) is 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide is CC(=O)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is CRGSLLFWFJIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)15-5-3-4-6-16(15)18-11-17(21)19-13-7-9-14(10-8-13)24(2,22)23/h3-10,18H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide?
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 42027103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).