2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide

C16H14Cl4N2O4S — CID 1481018

IUPAC2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2ccc(Cl)cc2Cl)S(C)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl4N2O4S/c1-26-15-7-14(11(19)6-12(15)20)22(27(2,24)25)8-16(23)21-13-4-3-9(17)5-10(13)18/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyNZBUZUSROHMVIB-UHFFFAOYSA-N
MW472.18 g/mol
LogP4.71
Rot. Bonds6

About 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide

2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 1481018) has the molecular formula C16H14Cl4N2O4S and a molecular weight of 472.18 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide
PubChem CID1481018
Molecular FormulaC16H14Cl4N2O4S
Molecular Weight472.18 g/mol
Exact Mass469.94
IUPAC Name2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2ccc(Cl)cc2Cl)S(C)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl4N2O4S/c1-26-15-7-14(11(19)6-12(15)20)22(27(2,24)25)8-16(23)21-13-4-3-9(17)5-10(13)18/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyNZBUZUSROHMVIB-UHFFFAOYSA-N
XLogP4.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.18
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 53278773
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126030283
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 1326607
2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 3458989
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide (CID 1481018) is 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide is COc1cc(N(CC(=O)Nc2ccc(Cl)cc2Cl)S(C)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is NZBUZUSROHMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl4N2O4S/c1-26-15-7-14(11(19)6-12(15)20)22(27(2,24)25)8-16(23)21-13-4-3-9(17)5-10(13)18/h3-7H,8H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide?
2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 472.18 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 1481018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).