(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C18H22N2O4S — CID 124577930

IUPAC(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@H](C(=O)N(C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-14(18(21)19(2)3)20(25(4,22)23)15-10-12-17(13-11-15)24-16-8-6-5-7-9-16/h5-14H,1-4H3/t14-/m1/s1
InChIKeyNKHQHSNJHBXSSG-CQSZACIVSA-N
MW362.45 g/mol
LogP2.72
Rot. Bonds6

About (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 124577930) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID124577930
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@H](C(=O)N(C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-14(18(21)19(2)3)20(25(4,22)23)15-10-12-17(13-11-15)24-16-8-6-5-7-9-16/h5-14H,1-4H3/t14-/m1/s1
InChIKeyNKHQHSNJHBXSSG-CQSZACIVSA-N
XLogP2.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1322663
N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1077619
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(4-phenoxyphenyl)methanesulfonamide
CID 2929151
N-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 6964838
2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 2964511
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1076298
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486888
(2R)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486883
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 2943639
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125086281

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 124577930) is (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is C[C@H](C(=O)N(C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is NKHQHSNJHBXSSG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(18(21)19(2)3)20(25(4,22)23)15-10-12-17(13-11-15)24-16-8-6-5-7-9-16/h5-14H,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 124577930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).