2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide

C17H16Cl2N2O4S — CID 5201560

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C17H16Cl2N2O4S/c1-11(22)12-4-3-5-14(8-12)21(26(2,24)25)10-17(23)20-16-9-13(18)6-7-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyZTCOEQYUFXNOFQ-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.60
Rot. Bonds6

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 5201560) has the molecular formula C17H16Cl2N2O4S and a molecular weight of 415.30 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
PubChem CID5201560
Molecular FormulaC17H16Cl2N2O4S
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C17H16Cl2N2O4S/c1-11(22)12-4-3-5-14(8-12)21(26(2,24)25)10-17(23)20-16-9-13(18)6-7-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyZTCOEQYUFXNOFQ-UHFFFAOYSA-N
XLogP3.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342538
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 30246731
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2970076
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2973626
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide (CID 5201560) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide is CC(=O)c1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is ZTCOEQYUFXNOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S/c1-11(22)12-4-3-5-14(8-12)21(26(2,24)25)10-17(23)20-16-9-13(18)6-7-15(16)19/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 415.30 g/mol, XLogP of 3.60, 6 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-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 5201560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).