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

C24H25N3O4S — CID 100600620

IUPACN-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25N3O4S/c1-16-5-4-6-17(2)22(16)27(32(3,30)31)15-18-7-9-20(10-8-18)24(29)26-21-13-11-19(12-14-21)23(25)28/h4-14H,15H2,1-3H3,(H2,25,28)(H,26,29)
InChIKeyFUNIZDRWDIFASM-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.62
Rot. Bonds7

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

N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 100600620) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID100600620
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25N3O4S/c1-16-5-4-6-17(2)22(16)27(32(3,30)31)15-18-7-9-20(10-8-18)24(29)26-21-13-11-19(12-14-21)23(25)28/h4-14H,15H2,1-3H3,(H2,25,28)(H,26,29)
InChIKeyFUNIZDRWDIFASM-UHFFFAOYSA-N
XLogP3.62
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100524131
N-(3-chloro-4-methylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100587658
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide
CID 53288058
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide
CID 53287988
methyl 4-chloro-3-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 100731085
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
4-[benzyl(methylsulfonyl)amino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43880749
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53287240
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
CID 56832954
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503654

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 100600620) is N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is FUNIZDRWDIFASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16-5-4-6-17(2)22(16)27(32(3,30)31)15-18-7-9-20(10-8-18)24(29)26-21-13-11-19(12-14-21)23(25)28/h4-14H,15H2,1-3H3,(H2,25,28)(H,26,29).
What are the key properties of N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 100600620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).