2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C19H22Cl2N2O5S — CID 2176136

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22Cl2N2O5S/c1-27-17-7-4-13(10-18(17)28-2)8-9-22-19(24)12-23(29(3,25)26)16-11-14(20)5-6-15(16)21/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyUIPYGSHHYWHUPX-UHFFFAOYSA-N
MW461.37 g/mol
LogP3.14
Rot. Bonds9

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 2176136) has the molecular formula C19H22Cl2N2O5S and a molecular weight of 461.37 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID2176136
Molecular FormulaC19H22Cl2N2O5S
Molecular Weight461.37 g/mol
Exact Mass460.06
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22Cl2N2O5S/c1-27-17-7-4-13(10-18(17)28-2)8-9-22-19(24)12-23(29(3,25)26)16-11-14(20)5-6-15(16)21/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyUIPYGSHHYWHUPX-UHFFFAOYSA-N
XLogP3.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 2899601
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2229213
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30222084
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43899535
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126412284
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26512399

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 2176136) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is UIPYGSHHYWHUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O5S/c1-27-17-7-4-13(10-18(17)28-2)8-9-22-19(24)12-23(29(3,25)26)16-11-14(20)5-6-15(16)21/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 461.37 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2176136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).