N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide

C14H20N2O3S — CID 123801313

IUPACN-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide
SMILESCC1(C(=O)NCc2ccc(C(=O)NO)s2)CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-14(7-3-2-4-8-14)13(18)15-9-10-5-6-11(20-10)12(17)16-19/h5-6,19H,2-4,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyFALRQYXDMURVJP-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.45
Rot. Bonds4

About N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide

N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide (PubChem CID 123801313) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide
PubChem CID123801313
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide
SMILESCC1(C(=O)NCc2ccc(C(=O)NO)s2)CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-14(7-3-2-4-8-14)13(18)15-9-10-5-6-11(20-10)12(17)16-19/h5-6,19H,2-4,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyFALRQYXDMURVJP-UHFFFAOYSA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.45
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-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide (CID 123801313) is N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide is CC1(C(=O)NCc2ccc(C(=O)NO)s2)CCCCC1.
What is the InChIKey of N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide?
The InChIKey is FALRQYXDMURVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(7-3-2-4-8-14)13(18)15-9-10-5-6-11(20-10)12(17)16-19/h5-6,19H,2-4,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide?
N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[(1-methylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 123801313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).