N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide

C13H20N2O5S — CID 10591505

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
InChIKeyCPWMZTRXCCYTDM-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.89
Rot. Bonds7

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

N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide (PubChem CID 10591505) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
PubChem CID10591505
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
InChIKeyCPWMZTRXCCYTDM-UHFFFAOYSA-N
XLogP0.89
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.89
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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Related Compounds

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
N-Hydroxy-4-((4-Methoxylphenyl)Sulfonyl)-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
CID 5288814
(2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfonamido]butanamide
CID 6539670
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl]amino]-3-methylbutanamide
CID 6539651
Hydroxamate 21
CID 6916013
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]glycinamide
CID 10445302
MMP-3 Inhibitor VIII
CID 10549329
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
N-hydroxy-2-[(4-methoxybenzene)(3-methylbutyl)sulfonamido]acetamide
CID 10640178
N-hydroxy-2-{[4-(3-methylbutoxy)benzene](2-methylpropyl)sulfonamido}acetamide
CID 10667012
Hydroxamate 15
CID 10707457

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide (CID 10591505) is N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide is COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
The InChIKey is CPWMZTRXCCYTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide has a molecular weight of 316.38 g/mol, XLogP of 0.89, 7 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]-4-methylpentanamide is sourced from PubChem (CID 10591505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).