(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide

C13H20N2O4S — CID 95118747

IUPAC(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
SMILESCC[C@H](C(=O)NC)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-5-12(13(16)14-2)15(20(4,17)18)10-6-8-11(19-3)9-7-10/h6-9,12H,5H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyRVJFZKFXPIHELJ-GFCCVEGCSA-N
MW300.38 g/mol
LogP0.99
Rot. Bonds6

About (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide

(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide (PubChem CID 95118747) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
PubChem CID95118747
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
SMILESCC[C@H](C(=O)NC)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-5-12(13(16)14-2)15(20(4,17)18)10-6-8-11(19-3)9-7-10/h6-9,12H,5H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyRVJFZKFXPIHELJ-GFCCVEGCSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659297
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659291
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172697
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 94027641
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172695
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 125081985
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133200028
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132671766
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132670099
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523649
2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132666260

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide?
The IUPAC name of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide (CID 95118747) is (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide.
What is the SMILES notation for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide?
The canonical SMILES for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide is CC[C@H](C(=O)NC)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide?
The InChIKey is RVJFZKFXPIHELJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-12(13(16)14-2)15(20(4,17)18)10-6-8-11(19-3)9-7-10/h6-9,12H,5H2,1-4H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide?
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide has a molecular weight of 300.38 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide is sourced from PubChem (CID 95118747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).