N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide

C12H18N2O5S — CID 6916013

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
InChIKeySUEBJDNLBVTIQP-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.50
Rot. Bonds6

About N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 6916013) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
PubChem CID6916013
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
InChIKeySUEBJDNLBVTIQP-UHFFFAOYSA-N
XLogP0.50
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.50
H-Bond Donors ≤ 53
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-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide (CID 6916013) is N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide is COc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is SUEBJDNLBVTIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 302.35 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 6916013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).