N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide

C19H20N2O5S — CID 21130562

IUPACN-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide
SMILESC#CCNC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C19H20N2O5S/c1-3-13-20-19(2,18(22)21-23)14-27(24,25)17-11-9-16(10-12-17)26-15-7-5-4-6-8-15/h1,4-12,20,23H,13-14H2,2H3,(H,21,22)
InChIKeyHYJOVEQOBWVFPG-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.74
Rot. Bonds8

About N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide

N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide (PubChem CID 21130562) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide
PubChem CID21130562
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide
SMILESC#CCNC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C19H20N2O5S/c1-3-13-20-19(2,18(22)21-23)14-27(24,25)17-11-9-16(10-12-17)26-15-7-5-4-6-8-15/h1,4-12,20,23H,13-14H2,2H3,(H,21,22)
InChIKeyHYJOVEQOBWVFPG-UHFFFAOYSA-N
XLogP1.74
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide?
The IUPAC name of N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide (CID 21130562) is N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide.
What is the SMILES notation for N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide?
The canonical SMILES for N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide is C#CCNC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide?
The InChIKey is HYJOVEQOBWVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-3-13-20-19(2,18(22)21-23)14-27(24,25)17-11-9-16(10-12-17)26-15-7-5-4-6-8-15/h1,4-12,20,23H,13-14H2,2H3,(H,21,22).
What are the key properties of N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide?
N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide has a molecular weight of 388.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonyl-2-(prop-2-ynylamino)propanamide is sourced from PubChem (CID 21130562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).