2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide

C24H26N2O3S — CID 2973501

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H26N2O3S/c1-17-14-15-21(16-18(17)2)26(30(4,28)29)19(3)24(27)25-23-13-9-8-12-22(23)20-10-6-5-7-11-20/h5-16,19H,1-4H3,(H,25,27)
InChIKeyCRTGMMJPADRYCL-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.76
Rot. Bonds6

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide (PubChem CID 2973501) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
PubChem CID2973501
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H26N2O3S/c1-17-14-15-21(16-18(17)2)26(30(4,28)29)19(3)24(27)25-23-13-9-8-12-22(23)20-10-6-5-7-11-20/h5-16,19H,1-4H3,(H,25,27)
InChIKeyCRTGMMJPADRYCL-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
2-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2231853
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)propanamide
CID 2227673
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1265240
2-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
CID 2243067
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 132663359
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 126415254
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide (CID 2973501) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide is Cc1ccc(N(C(C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
The InChIKey is CRTGMMJPADRYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-14-15-21(16-18(17)2)26(30(4,28)29)19(3)24(27)25-23-13-9-8-12-22(23)20-10-6-5-7-11-20/h5-16,19H,1-4H3,(H,25,27).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide has a molecular weight of 422.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 2973501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).