N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide

C26H29N3O4S — CID 100524131

IUPACN-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C26H29N3O4S/c1-18-7-6-8-19(2)24(18)29(34(5,32)33)17-20-9-11-21(12-10-20)25(30)27-23-15-13-22(14-16-23)26(31)28(3)4/h6-16H,17H2,1-5H3,(H,27,30)
InChIKeyXVEVQCGHVFZTOA-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide

N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 100524131) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID100524131
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C26H29N3O4S/c1-18-7-6-8-19(2)24(18)29(34(5,32)33)17-20-9-11-21(12-10-20)25(30)27-23-15-13-22(14-16-23)26(31)28(3)4/h6-16H,17H2,1-5H3,(H,27,30)
InChIKeyXVEVQCGHVFZTOA-UHFFFAOYSA-N
XLogP4.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100600620
N-(3-chloro-4-methylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100587658
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide
CID 53287988
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide
CID 53288058
methyl 4-chloro-3-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 100731085
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53287240
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
4-[benzyl(methylsulfonyl)amino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43880749
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821
2-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 125057642
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 100524131) is N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is XVEVQCGHVFZTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-18-7-6-8-19(2)24(18)29(34(5,32)33)17-20-9-11-21(12-10-20)25(30)27-23-15-13-22(14-16-23)26(31)28(3)4/h6-16H,17H2,1-5H3,(H,27,30).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 100524131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).