N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide

C17H18N2O4S — CID 60613224

IUPACN-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NOC1CCCCO1)c1cccs1
InChIInChI=1S/C17H18N2O4S/c20-16(19-23-15-9-3-4-10-22-15)12-6-1-2-7-13(12)18-17(21)14-8-5-11-24-14/h1-2,5-8,11,15H,3-4,9-10H2,(H,18,21)(H,19,20)
InChIKeyQLRDZFIACWOVIM-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 60613224) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID60613224
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NOC1CCCCO1)c1cccs1
InChIInChI=1S/C17H18N2O4S/c20-16(19-23-15-9-3-4-10-22-15)12-6-1-2-7-13(12)18-17(21)14-8-5-11-24-14/h1-2,5-8,11,15H,3-4,9-10H2,(H,18,21)(H,19,20)
InChIKeyQLRDZFIACWOVIM-UHFFFAOYSA-N
XLogP3.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 51130706
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305
N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658665
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 33316475
1-methyl-3-[(2R)-oxan-2-yl]oxy-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99718585
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
CID 10182459

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide (CID 60613224) is N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NOC1CCCCO1)c1cccs1.
What is the InChIKey of N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is QLRDZFIACWOVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-16(19-23-15-9-3-4-10-22-15)12-6-1-2-7-13(12)18-17(21)14-8-5-11-24-14/h1-2,5-8,11,15H,3-4,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60613224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).