2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide

C26H30N2O5S — CID 1208429

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C26H30N2O5S/c1-19-10-11-22(16-20(19)2)27-26(29)18-28(15-14-21-8-6-5-7-9-21)34(30,31)23-12-13-24(32-3)25(17-23)33-4/h5-13,16-17H,14-15,18H2,1-4H3,(H,27,29)
InChIKeyGDDPOXUJMBMWTJ-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.19
Rot. Bonds10

About 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 1208429) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID1208429
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C26H30N2O5S/c1-19-10-11-22(16-20(19)2)27-26(29)18-28(15-14-21-8-6-5-7-9-21)34(30,31)23-12-13-24(32-3)25(17-23)33-4/h5-13,16-17H,14-15,18H2,1-4H3,(H,27,29)
InChIKeyGDDPOXUJMBMWTJ-UHFFFAOYSA-N
XLogP4.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
CID 164513524
N-(2-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
2,2'-(Naphthalene-1,4-Diylbis(((4-Methoxyphenyl)sulfonyl)azanediyl))diacetamide
CID 91885637
N-((1r,4r)-4-(2-(4-(3-cyanophenyl)piperazin-1-yl)ethyl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 44435092
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
CID 7586249
3-(3,4-Dimethoxy-benzenesulfonyl)-1-(3,4-dimethyl-phenyl)-imidazolidine-2,4-dione
CID 10431323
N-(2-Amino-phenyl)-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 11112665
2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
CID 24760748

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 1208429) is 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is GDDPOXUJMBMWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-19-10-11-22(16-20(19)2)27-26(29)18-28(15-14-21-8-6-5-7-9-21)34(30,31)23-12-13-24(32-3)25(17-23)33-4/h5-13,16-17H,14-15,18H2,1-4H3,(H,27,29).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 1208429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).