N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide

C12H18N2O5S — CID 11681020

IUPACN,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide
SMILESCCCc1ccc(S(=O)(=O)NC(CO)C(=O)NO)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-3-9-4-6-10(7-5-9)20(18,19)14-11(8-15)12(16)13-17/h4-7,11,14-15,17H,2-3,8H2,1H3,(H,13,16)
InChIKeyZHIRXNUQZIJZPV-UHFFFAOYSA-N
MW302.35 g/mol
LogP-0.22
Rot. Bonds7

About N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide

N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide (PubChem CID 11681020) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide
PubChem CID11681020
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide
SMILESCCCc1ccc(S(=O)(=O)NC(CO)C(=O)NO)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-3-9-4-6-10(7-5-9)20(18,19)14-11(8-15)12(16)13-17/h4-7,11,14-15,17H,2-3,8H2,1H3,(H,13,16)
InChIKeyZHIRXNUQZIJZPV-UHFFFAOYSA-N
XLogP-0.22
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.22
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-propylphenyl)sulfonylamino]propanamide?
The IUPAC name of N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide (CID 11681020) is N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide is CCCc1ccc(S(=O)(=O)NC(CO)C(=O)NO)cc1.
What is the InChIKey of N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide?
The InChIKey is ZHIRXNUQZIJZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-2-3-9-4-6-10(7-5-9)20(18,19)14-11(8-15)12(16)13-17/h4-7,11,14-15,17H,2-3,8H2,1H3,(H,13,16).
What are the key properties of N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide?
N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide has a molecular weight of 302.35 g/mol, XLogP of -0.22, 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-propylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 11681020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).