4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide

C24H24Cl2N2O3S — CID 133202079

IUPAC4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(CN(c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-17(19-7-4-3-5-8-19)15-27-24(29)20-13-11-18(12-14-20)16-28(32(2,30)31)23-21(25)9-6-10-22(23)26/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyTWWGWPSRGRJJSM-UHFFFAOYSA-N
MW491.44 g/mol
LogP5.49
Rot. Bonds8

About 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide

4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide (PubChem CID 133202079) has the molecular formula C24H24Cl2N2O3S and a molecular weight of 491.44 g/mol. Its IUPAC name is 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
PubChem CID133202079
Molecular FormulaC24H24Cl2N2O3S
Molecular Weight491.44 g/mol
Exact Mass490.09
IUPAC Name4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(CN(c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-17(19-7-4-3-5-8-19)15-27-24(29)20-13-11-18(12-14-20)16-28(32(2,30)31)23-21(25)9-6-10-22(23)26/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyTWWGWPSRGRJJSM-UHFFFAOYSA-N
XLogP5.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.44
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
CID 133185354
4-[(2-chloro-N-methylsulfonyl-5-nitroanilino)methyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 100508358
4-[(3,4-difluoro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133202031
4-[(N-methylsulfonyl-2-phenoxyanilino)methyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 100503717
4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-(2-phenylpropyl)benzamide
CID 133202069
4-[(4-iodo-2-methyl-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133200498
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
4-[(2-methyl-N-methylsulfonyl-5-nitroanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133200517
4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
CID 3119032
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide?
The IUPAC name of 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide (CID 133202079) is 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1ccc(CN(c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide?
The InChIKey is TWWGWPSRGRJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3S/c1-17(19-7-4-3-5-8-19)15-27-24(29)20-13-11-18(12-14-20)16-28(32(2,30)31)23-21(25)9-6-10-22(23)26/h3-14,17H,15-16H2,1-2H3,(H,27,29).
What are the key properties of 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide?
4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide has a molecular weight of 491.44 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 133202079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).