2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide

C18H20Cl2N2O4S — CID 28574072

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O4S/c1-21(11-13-4-6-14(19)7-5-13)18(23)12-22(27(3,24)25)16-10-15(20)8-9-17(16)26-2/h4-10H,11-12H2,1-3H3
InChIKeyURNDRTLRQUDYMD-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.43
Rot. Bonds7

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 28574072) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
PubChem CID28574072
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O4S/c1-21(11-13-4-6-14(19)7-5-13)18(23)12-22(27(3,24)25)16-10-15(20)8-9-17(16)26-2/h4-10H,11-12H2,1-3H3
InChIKeyURNDRTLRQUDYMD-UHFFFAOYSA-N
XLogP3.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 43875506
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 99959166
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 30304869
2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 132684752
2-(2-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92672008
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 46771835
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 99956830
N-[(4-chlorophenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-methylacetamide
CID 99957537
2-[(4-bromophenyl)methyl-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 132626397
N-benzyl-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1098087
2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132683998

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide (CID 28574072) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide is COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is URNDRTLRQUDYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-21(11-13-4-6-14(19)7-5-13)18(23)12-22(27(3,24)25)16-10-15(20)8-9-17(16)26-2/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 431.34 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 28574072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).