N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide

C14H22N2O5S — CID 10640178

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NO)cc1
InChIInChI=1S/C14H22N2O5S/c1-11(2)8-9-16(10-14(17)15-18)22(19,20)13-6-4-12(21-3)5-7-13/h4-7,11,18H,8-10H2,1-3H3,(H,15,17)
InChIKeyYPCPCLGFXANQDQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.24
Rot. Bonds8

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide (PubChem CID 10640178) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide
PubChem CID10640178
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NO)cc1
InChIInChI=1S/C14H22N2O5S/c1-11(2)8-9-16(10-14(17)15-18)22(19,20)13-6-4-12(21-3)5-7-13/h4-7,11,18H,8-10H2,1-3H3,(H,15,17)
InChIKeyYPCPCLGFXANQDQ-UHFFFAOYSA-N
XLogP1.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
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)sulfonyl-(3-methylbutyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide (CID 10640178) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide?
The InChIKey is YPCPCLGFXANQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-11(2)8-9-16(10-14(17)15-18)22(19,20)13-6-4-12(21-3)5-7-13/h4-7,11,18H,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide has a molecular weight of 330.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]acetamide is sourced from PubChem (CID 10640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).