(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide

C21H27N3O4S — CID 2123914

IUPAC(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O4S/c1-16(2)20(23-29(26,27)17-8-4-3-5-9-17)21(25)22-18-10-6-7-11-19(18)24-12-14-28-15-13-24/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyZNYZJIGWXUPVBI-FQEVSTJZSA-N
MW417.53 g/mol
LogP2.46
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide

(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide (PubChem CID 2123914) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
PubChem CID2123914
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O4S/c1-16(2)20(23-29(26,27)17-8-4-3-5-9-17)21(25)22-18-10-6-7-11-19(18)24-12-14-28-15-13-24/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyZNYZJIGWXUPVBI-FQEVSTJZSA-N
XLogP2.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide (CID 2123914) is (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
The InChIKey is ZNYZJIGWXUPVBI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16(2)20(23-29(26,27)17-8-4-3-5-9-17)21(25)22-18-10-6-7-11-19(18)24-12-14-28-15-13-24/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide has a molecular weight of 417.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 2123914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).