4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid

C16H21N3O7S — CID 119215921

IUPAC4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C16H21N3O7S/c1-10(15(21)19-7-8-26-9-14(19)16(22)23)18-27(24,25)13-5-3-12(4-6-13)17-11(2)20/h3-6,10,14,18H,7-9H2,1-2H3,(H,17,20)(H,22,23)
InChIKeyHCVYKPJMTLMYDV-UHFFFAOYSA-N
MW399.43 g/mol
LogP-0.38
Rot. Bonds6

About 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid

4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid (PubChem CID 119215921) has the molecular formula C16H21N3O7S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
PubChem CID119215921
Molecular FormulaC16H21N3O7S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C16H21N3O7S/c1-10(15(21)19-7-8-26-9-14(19)16(22)23)18-27(24,25)13-5-3-12(4-6-13)17-11(2)20/h3-6,10,14,18H,7-9H2,1-2H3,(H,17,20)(H,22,23)
InChIKeyHCVYKPJMTLMYDV-UHFFFAOYSA-N
XLogP-0.38
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354774
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 119468711
N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 95396995
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 24619756
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 119176050
N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55939164
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
CID 110285631
N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 120657511
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid (CID 119215921) is 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid?
The InChIKey is HCVYKPJMTLMYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O7S/c1-10(15(21)19-7-8-26-9-14(19)16(22)23)18-27(24,25)13-5-3-12(4-6-13)17-11(2)20/h3-6,10,14,18H,7-9H2,1-2H3,(H,17,20)(H,22,23).
What are the key properties of 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid?
4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid has a molecular weight of 399.43 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119215921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).