2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide

C18H21N3O6S — CID 18368954

IUPAC2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CC(NC(=O)CNc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H21N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)12-16(18(23)21-24)20-17(22)11-19-13-5-3-2-4-6-13/h2-10,16,19,24H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOADFYLLPIAVAQL-UHFFFAOYSA-N
MW407.45 g/mol
LogP0.57
Rot. Bonds9

About 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide

2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 18368954) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID18368954
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CC(NC(=O)CNc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H21N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)12-16(18(23)21-24)20-17(22)11-19-13-5-3-2-4-6-13/h2-10,16,19,24H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOADFYLLPIAVAQL-UHFFFAOYSA-N
XLogP0.57
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide
CID 59071627
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
CID 119370188
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide
CID 59071623
2-anilino-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693477
(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
CID 61161925
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide (CID 18368954) is 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CC(NC(=O)CNc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is OADFYLLPIAVAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)12-16(18(23)21-24)20-17(22)11-19-13-5-3-2-4-6-13/h2-10,16,19,24H,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide?
2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 407.45 g/mol, XLogP of 0.57, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 18368954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).