2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide

C24H24Cl2N2O3S — CID 46772725

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccccc1C(NC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-16-9-7-8-12-20(16)23(18-10-5-4-6-11-18)27-24(29)17(2)28(32(3,30)31)22-15-19(25)13-14-21(22)26/h4-15,17,23H,1-3H3,(H,27,29)
InChIKeyAUAVMCMEBOTVSF-UHFFFAOYSA-N
MW491.44 g/mol
LogP5.36
Rot. Bonds7

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide (PubChem CID 46772725) has the molecular formula C24H24Cl2N2O3S and a molecular weight of 491.44 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide
PubChem CID46772725
Molecular FormulaC24H24Cl2N2O3S
Molecular Weight491.44 g/mol
Exact Mass490.09
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccccc1C(NC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-16-9-7-8-12-20(16)23(18-10-5-4-6-11-18)27-24(29)17(2)28(32(3,30)31)22-15-19(25)13-14-21(22)26/h4-15,17,23H,1-3H3,(H,27,29)
InChIKeyAUAVMCMEBOTVSF-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823143
(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
CID 93160173
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 92674039
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92684542
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 28580335
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130784
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130786
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125083131
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 38016500
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide (CID 46772725) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide is Cc1ccccc1C(NC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is AUAVMCMEBOTVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3S/c1-16-9-7-8-12-20(16)23(18-10-5-4-6-11-18)27-24(29)17(2)28(32(3,30)31)22-15-19(25)13-14-21(22)26/h4-15,17,23H,1-3H3,(H,27,29).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 491.44 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 46772725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).