N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide

C24H26N2O4S — CID 28578521

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-25(18-21-9-7-8-12-23(21)30-2)24(27)20-15-13-19(14-16-20)17-26(31(3,28)29)22-10-5-4-6-11-22/h4-16H,17-18H2,1-3H3
InChIKeyXYWRZKAMVLGTPN-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.93
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide

N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide (PubChem CID 28578521) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
PubChem CID28578521
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-25(18-21-9-7-8-12-23(21)30-2)24(27)20-15-13-19(14-16-20)17-26(31(3,28)29)22-10-5-4-6-11-22/h4-16H,17-18H2,1-3H3
InChIKeyXYWRZKAMVLGTPN-UHFFFAOYSA-N
XLogP3.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 100568377
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 43909157
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 28635128
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 43886338
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46770513
N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 30392525
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92647368
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
CID 2898932
4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263964

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide (CID 28578521) is N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide is COc1ccccc1CN(C)C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is XYWRZKAMVLGTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-25(18-21-9-7-8-12-23(21)30-2)24(27)20-15-13-19(14-16-20)17-26(31(3,28)29)22-10-5-4-6-11-22/h4-16H,17-18H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 28578521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).