2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C25H27ClN2O5S — CID 126412284

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-18-6-4-5-7-22(18)28(34(30,31)21-11-9-20(26)10-12-21)17-25(29)27-15-14-19-8-13-23(32-2)24(16-19)33-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,29)
InChIKeyAUGYFABOPSNQPT-UHFFFAOYSA-N
MW503.02 g/mol
LogP4.22
Rot. Bonds10

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 126412284) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID126412284
Molecular FormulaC25H27ClN2O5S
Molecular Weight503.02 g/mol
Exact Mass502.13
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-18-6-4-5-7-22(18)28(34(30,31)21-11-9-20(26)10-12-21)17-25(29)27-15-14-19-8-13-23(32-2)24(16-19)33-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,29)
InChIKeyAUGYFABOPSNQPT-UHFFFAOYSA-N
XLogP4.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4014466
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5226601
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30264278
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2894039
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30214103
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171
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
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4239320
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide
CID 86893446
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43899535

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 126412284) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is AUGYFABOPSNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-18-6-4-5-7-22(18)28(34(30,31)21-11-9-20(26)10-12-21)17-25(29)27-15-14-19-8-13-23(32-2)24(16-19)33-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,29).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 503.02 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 126412284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).