3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide

C13H18N2O4S — CID 10086045

IUPAC3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)NC(CC2CC2)C(=O)NO)c1
InChIInChI=1S/C13H18N2O4S/c1-9-3-2-4-11(7-9)20(18,19)15-12(13(16)14-17)8-10-5-6-10/h2-4,7,10,12,15,17H,5-6,8H2,1H3,(H,14,16)
InChIKeyHOSBIOIACSJHJN-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.95
Rot. Bonds6

About 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide

3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide (PubChem CID 10086045) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide
PubChem CID10086045
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)NC(CC2CC2)C(=O)NO)c1
InChIInChI=1S/C13H18N2O4S/c1-9-3-2-4-11(7-9)20(18,19)15-12(13(16)14-17)8-10-5-6-10/h2-4,7,10,12,15,17H,5-6,8H2,1H3,(H,14,16)
InChIKeyHOSBIOIACSJHJN-UHFFFAOYSA-N
XLogP0.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
(2R)-2-[(3-methylphenyl)sulfonylamino]pentanedioate
CID 2422442
propan-2-yl 2-[(3-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3668792
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
CID 131856473
3-(1H-imidazol-5-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid
CID 16777074
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
CID 103833861
methyl 2-[(3-methylphenyl)sulfonylamino]-3-pyrimidin-2-ylpropanoate
CID 167887695
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358
(2S)-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanoate
CID 2241578
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
CID 50740483

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide (CID 10086045) is 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide is Cc1cccc(S(=O)(=O)NC(CC2CC2)C(=O)NO)c1.
What is the InChIKey of 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is HOSBIOIACSJHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-3-2-4-11(7-9)20(18,19)15-12(13(16)14-17)8-10-5-6-10/h2-4,7,10,12,15,17H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide?
3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 298.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-hydroxy-2-[(3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 10086045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).