4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide

C26H30N2O4S — CID 56832585

IUPAC4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
SMILESCCCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-5-16-33(30,31)28(23-15-10-19(2)20(3)17-23)18-21-11-13-22(14-12-21)26(29)27-24-8-6-7-9-25(24)32-4/h6-15,17H,5,16,18H2,1-4H3,(H,27,29)
InChIKeyGMWMDRBCNIQGMA-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.31
Rot. Bonds9

About 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide

4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide (PubChem CID 56832585) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
PubChem CID56832585
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
SMILESCCCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-5-16-33(30,31)28(23-15-10-19(2)20(3)17-23)18-21-11-13-22(14-12-21)26(29)27-24-8-6-7-9-25(24)32-4/h6-15,17H,5,16,18H2,1-4H3,(H,27,29)
InChIKeyGMWMDRBCNIQGMA-UHFFFAOYSA-N
XLogP5.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 66715019
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide
CID 66715123
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
CID 53287919
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-4-fluorobenzamide
CID 66715266
3-chloro-N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-4-methoxybenzamide
CID 66715152
3-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-ethoxyphenyl)benzamide
CID 66715077
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 126118795
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 28588318
4-[(3,4-dimethyl-N-(1-methylimidazol-4-yl)sulfonylanilino)methyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 56832797
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
4-[[2,3-dihydro-1H-inden-5-yl(methylsulfonyl)amino]methyl]-N-(2-ethoxyphenyl)benzamide
CID 56832742

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide (CID 56832585) is 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide is CCCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide?
The InChIKey is GMWMDRBCNIQGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-5-16-33(30,31)28(23-15-10-19(2)20(3)17-23)18-21-11-13-22(14-12-21)26(29)27-24-8-6-7-9-25(24)32-4/h6-15,17H,5,16,18H2,1-4H3,(H,27,29).
What are the key properties of 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide?
4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 56832585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).