N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide

C14H22N2O5S — CID 11716931

IUPACN,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(CO)C(=O)NO)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16-12(9-17)13(18)15-19/h5-8,12,16-17,19H,4,9H2,1-3H3,(H,15,18)
InChIKeyPLTXFYKTRPWVHP-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.52
Rot. Bonds7

About N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide

N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide (PubChem CID 11716931) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide
PubChem CID11716931
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(CO)C(=O)NO)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16-12(9-17)13(18)15-19/h5-8,12,16-17,19H,4,9H2,1-3H3,(H,15,18)
InChIKeyPLTXFYKTRPWVHP-UHFFFAOYSA-N
XLogP0.52
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide (CID 11716931) is N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide is CCC(C)(C)c1ccc(S(=O)(=O)NC(CO)C(=O)NO)cc1.
What is the InChIKey of N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide?
The InChIKey is PLTXFYKTRPWVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16-12(9-17)13(18)15-19/h5-8,12,16-17,19H,4,9H2,1-3H3,(H,15,18).
What are the key properties of N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide?
N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide has a molecular weight of 330.41 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 11716931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).