N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide

C19H24N2O3S — CID 11279875

IUPACN'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide
SMILESCC(C)CC(CC(=O)NO)C(=O)NCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-13(2)10-16(11-18(22)21-24)19(23)20-12-14-5-7-15(8-6-14)17-4-3-9-25-17/h3-9,13,16,24H,10-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRMSAKJVUVGZXDN-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.59
Rot. Bonds8

About N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide

N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide (PubChem CID 11279875) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide
PubChem CID11279875
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide
SMILESCC(C)CC(CC(=O)NO)C(=O)NCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-13(2)10-16(11-18(22)21-24)19(23)20-12-14-5-7-15(8-6-14)17-4-3-9-25-17/h3-9,13,16,24H,10-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRMSAKJVUVGZXDN-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide?
The IUPAC name of N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide (CID 11279875) is N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide?
The canonical SMILES for N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide is CC(C)CC(CC(=O)NO)C(=O)NCc1ccc(-c2cccs2)cc1.
What is the InChIKey of N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide?
The InChIKey is RMSAKJVUVGZXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(2)10-16(11-18(22)21-24)19(23)20-12-14-5-7-15(8-6-14)17-4-3-9-25-17/h3-9,13,16,24H,10-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide?
N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide has a molecular weight of 360.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylpropyl)-N-[(4-thiophen-2-ylphenyl)methyl]butanediamide is sourced from PubChem (CID 11279875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).