2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid

C17H24N2O6S — CID 97324656

IUPAC2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)c1
InChIInChI=1S/C17H24N2O6S/c1-12-3-4-15(13(2)9-12)26(23,24)18-6-5-16(20)19-7-8-25-14(11-19)10-17(21)22/h3-4,9,14,18H,5-8,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyJDJVCRAOIHLBIK-AWEZNQCLSA-N
MW384.45 g/mol
LogP0.67
Rot. Bonds7

About 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid (PubChem CID 97324656) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid
PubChem CID97324656
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)c1
InChIInChI=1S/C17H24N2O6S/c1-12-3-4-15(13(2)9-12)26(23,24)18-6-5-16(20)19-7-8-25-14(11-19)10-17(21)22/h3-4,9,14,18H,5-8,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyJDJVCRAOIHLBIK-AWEZNQCLSA-N
XLogP0.67
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
N-[3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-oxopropyl]-2,4-dimethylbenzenesulfonamide
CID 55588409
tert-butyl 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 55509878
N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide
CID 55694111
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995675
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119247581
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
N-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2,4-dimethylbenzenesulfonamide
CID 55361498
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid (CID 97324656) is 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid is Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)c1.
What is the InChIKey of 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is JDJVCRAOIHLBIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-12-3-4-15(13(2)9-12)26(23,24)18-6-5-16(20)19-7-8-25-14(11-19)10-17(21)22/h3-4,9,14,18H,5-8,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 384.45 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 97324656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).