N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide

C16H17NO3S — CID 60613305

IUPACN-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1sccc1-c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(17-20-14-8-4-5-10-19-14)15-13(9-11-21-15)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,17,18)
InChIKeyXCQAOCHOHAWYGM-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.60
Rot. Bonds4

About N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide

N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide (PubChem CID 60613305) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
PubChem CID60613305
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1sccc1-c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(17-20-14-8-4-5-10-19-14)15-13(9-11-21-15)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,17,18)
InChIKeyXCQAOCHOHAWYGM-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide
CID 60612363
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
CID 99621538
N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
CID 60613224
2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 95174222
1-methyl-3-[(2R)-oxan-2-yl]oxy-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99718585
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
CID 10182459
N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
CID 111425839
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide (CID 60613305) is N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide is O=C(NOC1CCCCO1)c1sccc1-c1ccccc1.
What is the InChIKey of N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide?
The InChIKey is XCQAOCHOHAWYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(17-20-14-8-4-5-10-19-14)15-13(9-11-21-15)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,17,18).
What are the key properties of N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide?
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 60613305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).