(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide

C23H26N2O3S — CID 125062660

IUPAC(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C23H26N2O3S/c1-16-12-17(2)14-21(13-16)25(29(4,27)28)18(3)23(26)24-15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,18H,15H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyCINXSYRKEWMMEH-GOSISDBHSA-N
MW410.54 g/mol
LogP3.93
Rot. Bonds6

About (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide

(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 125062660) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID125062660
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C23H26N2O3S/c1-16-12-17(2)14-21(13-16)25(29(4,27)28)18(3)23(26)24-15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,18H,15H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyCINXSYRKEWMMEH-GOSISDBHSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 133187984
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 6490149
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 43834723
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 132662116
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 2973790
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99132766
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide (CID 125062660) is (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide is Cc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is CINXSYRKEWMMEH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-12-17(2)14-21(13-16)25(29(4,27)28)18(3)23(26)24-15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,18H,15H2,1-4H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 410.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 125062660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).