2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide

C20H24Cl2N2O5S — CID 43885933

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H24Cl2N2O5S/c1-13(24(30(5,26)27)17-11-15(21)7-8-16(17)22)20(25)23(2)12-14-6-9-18(28-3)19(10-14)29-4/h6-11,13H,12H2,1-5H3
InChIKeyJGTSMOCSBCBLKK-UHFFFAOYSA-N
MW475.39 g/mol
LogP3.82
Rot. Bonds8

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 43885933) has the molecular formula C20H24Cl2N2O5S and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
PubChem CID43885933
Molecular FormulaC20H24Cl2N2O5S
Molecular Weight475.39 g/mol
Exact Mass474.08
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H24Cl2N2O5S/c1-13(24(30(5,26)27)17-11-15(21)7-8-16(17)22)20(25)23(2)12-14-6-9-18(28-3)19(10-14)29-4/h6-11,13H,12H2,1-5H3
InChIKeyJGTSMOCSBCBLKK-UHFFFAOYSA-N
XLogP3.82
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 46769313
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 28636215
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 99955289
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 43907861
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 132670755
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 92676323
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-(2-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92672008
2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide
CID 4882099
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 28574072

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide (CID 43885933) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is JGTSMOCSBCBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O5S/c1-13(24(30(5,26)27)17-11-15(21)7-8-16(17)22)20(25)23(2)12-14-6-9-18(28-3)19(10-14)29-4/h6-11,13H,12H2,1-5H3.
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 475.39 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 43885933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).