2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide

C12H17ClN2O5S — CID 53278773

IUPAC2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O5S/c1-14-12(16)7-15(21(4,17)18)9-6-10(19-2)8(13)5-11(9)20-3/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyHVZLGZZWWZMFSW-UHFFFAOYSA-N
MW336.80 g/mol
LogP0.87
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide

2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 53278773) has the molecular formula C12H17ClN2O5S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID53278773
Molecular FormulaC12H17ClN2O5S
Molecular Weight336.80 g/mol
Exact Mass336.05
IUPAC Name2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O5S/c1-14-12(16)7-15(21(4,17)18)9-6-10(19-2)8(13)5-11(9)20-3/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyHVZLGZZWWZMFSW-UHFFFAOYSA-N
XLogP0.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
CID 113157009
2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N-(2,4-dichlorophenyl)acetamide
CID 1481018
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125074073
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 100581819
2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113157049
2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 113157038
2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 3458989
N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072076
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
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-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide (CID 53278773) is 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is HVZLGZZWWZMFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O5S/c1-14-12(16)7-15(21(4,17)18)9-6-10(19-2)8(13)5-11(9)20-3/h5-6H,7H2,1-4H3,(H,14,16).
What are the key properties of 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide?
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 336.80 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 53278773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).