2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C25H26Cl2N2O5S — CID 5226601

IUPAC2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H26Cl2N2O5S/c1-17-7-10-19(11-8-17)35(31,32)29(21-6-4-5-20(26)25(21)27)16-24(30)28-14-13-18-9-12-22(33-2)23(15-18)34-3/h4-12,15H,13-14,16H2,1-3H3,(H,28,30)
InChIKeyXSAZRTJQFTZTKI-UHFFFAOYSA-N
MW537.47 g/mol
LogP4.87
Rot. Bonds10

About 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 5226601) has the molecular formula C25H26Cl2N2O5S and a molecular weight of 537.47 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID5226601
Molecular FormulaC25H26Cl2N2O5S
Molecular Weight537.47 g/mol
Exact Mass536.09
IUPAC Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H26Cl2N2O5S/c1-17-7-10-19(11-8-17)35(31,32)29(21-6-4-5-20(26)25(21)27)16-24(30)28-14-13-18-9-12-22(33-2)23(15-18)34-3/h4-12,15H,13-14,16H2,1-3H3,(H,28,30)
InChIKeyXSAZRTJQFTZTKI-UHFFFAOYSA-N
XLogP4.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126412284
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4014466
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3764513
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232287
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30264278
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30214103
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2894039
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51344354
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3683181
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126182772

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 5226601) is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is XSAZRTJQFTZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O5S/c1-17-7-10-19(11-8-17)35(31,32)29(21-6-4-5-20(26)25(21)27)16-24(30)28-14-13-18-9-12-22(33-2)23(15-18)34-3/h4-12,15H,13-14,16H2,1-3H3,(H,28,30).
What are the key properties of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 537.47 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 5226601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).