(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

C15H22N2O4S — CID 697456

IUPAC(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-12(2)15(18)16-13-4-6-14(7-5-13)22(19,20)17-8-10-21-11-9-17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyGTODDNZEFOKFKY-GFCCVEGCSA-N
MW326.42 g/mol
LogP1.69
Rot. Bonds5

About (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 697456) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID697456
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-12(2)15(18)16-13-4-6-14(7-5-13)22(19,20)17-8-10-21-11-9-17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyGTODDNZEFOKFKY-GFCCVEGCSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790419
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 2108270
2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43908024
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43876383
(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7398211
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (CID 697456) is (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is GTODDNZEFOKFKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-12(2)15(18)16-13-4-6-14(7-5-13)22(19,20)17-8-10-21-11-9-17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 326.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 697456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).