4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C24H24Cl2N2O4S — CID 43909157

IUPAC4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-27(16-19-7-4-5-10-22(19)32-2)24(29)18-13-11-17(12-14-18)15-28(33(3,30)31)21-9-6-8-20(25)23(21)26/h4-14H,15-16H2,1-3H3
InChIKeySADBCAILZNAVFU-UHFFFAOYSA-N
MW507.44 g/mol
LogP5.24
Rot. Bonds8

About 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 43909157) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID43909157
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC Name4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-27(16-19-7-4-5-10-22(19)32-2)24(29)18-13-11-17(12-14-18)15-28(33(3,30)31)21-9-6-8-20(25)23(21)26/h4-14H,15-16H2,1-3H3
InChIKeySADBCAILZNAVFU-UHFFFAOYSA-N
XLogP5.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 28578521
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 100568377
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 46771835
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 98094037
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55684776
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 92644386
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]benzamide
CID 92644401
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 31234686
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 43909157) is 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is SADBCAILZNAVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-27(16-19-7-4-5-10-22(19)32-2)24(29)18-13-11-17(12-14-18)15-28(33(3,30)31)21-9-6-8-20(25)23(21)26/h4-14H,15-16H2,1-3H3.
What are the key properties of 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 507.44 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 43909157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).