(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide

C19H23BrN2O3S — CID 2229739

IUPAC(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23BrN2O3S/c1-12-8-13(2)10-17(9-12)22(26(5,24)25)15(4)19(23)21-16-6-7-18(20)14(3)11-16/h6-11,15H,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyPDWCPEKWSVNLSJ-OAHLLOKOSA-N
MW439.38 g/mol
LogP4.17
Rot. Bonds5

About (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide

(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 2229739) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID2229739
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23BrN2O3S/c1-12-8-13(2)10-17(9-12)22(26(5,24)25)15(4)19(23)21-16-6-7-18(20)14(3)11-16/h6-11,15H,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyPDWCPEKWSVNLSJ-OAHLLOKOSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 3505121
N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2899883
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2223843
(2S)-N-(2-bromophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 126388442
(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126416687
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 125058066
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502761
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 99971315

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide (CID 2229739) is (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is PDWCPEKWSVNLSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-12-8-13(2)10-17(9-12)22(26(5,24)25)15(4)19(23)21-16-6-7-18(20)14(3)11-16/h6-11,15H,1-5H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 439.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2229739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).