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

C15H22N2O3S — CID 58418282

IUPACN-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCCCC1)c1ccc(C(=O)NO)s1
InChIInChI=1S/C15H22N2O3S/c1-10(11-6-7-12(21-11)13(18)17-20)16-14(19)15(2)8-4-3-5-9-15/h6-7,10,20H,3-5,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyZNNRXDURCNNDMZ-SNVBAGLBSA-N
MW310.42 g/mol
LogP3.01
Rot. Bonds4

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

N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 58418282) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID58418282
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCCCC1)c1ccc(C(=O)NO)s1
InChIInChI=1S/C15H22N2O3S/c1-10(11-6-7-12(21-11)13(18)17-20)16-14(19)15(2)8-4-3-5-9-15/h6-7,10,20H,3-5,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyZNNRXDURCNNDMZ-SNVBAGLBSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.01
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-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide (CID 58418282) is N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide is C[C@@H](NC(=O)C1(C)CCCCC1)c1ccc(C(=O)NO)s1.
What is the InChIKey of N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is ZNNRXDURCNNDMZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(11-6-7-12(21-11)13(18)17-20)16-14(19)15(2)8-4-3-5-9-15/h6-7,10,20H,3-5,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-/m1/s1.
What are the key properties of N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide?
N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(1R)-1-[(1-methylcyclohexanecarbonyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 58418282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).