N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide

C16H17NO3S — CID 46580011

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1ccsc1
InChIInChI=1S/C16H17NO3S/c18-16(12-6-8-21-11-12)17-13-3-1-4-14(9-13)20-10-15-5-2-7-19-15/h1,3-4,6,8-9,11,15H,2,5,7,10H2,(H,17,18)
InChIKeyRCLXXDFNLPXLAT-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.56
Rot. Bonds5

About N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide

N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide (PubChem CID 46580011) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
PubChem CID46580011
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1ccsc1
InChIInChI=1S/C16H17NO3S/c18-16(12-6-8-21-11-12)17-13-3-1-4-14(9-13)20-10-15-5-2-7-19-15/h1,3-4,6,8-9,11,15H,2,5,7,10H2,(H,17,18)
InChIKeyRCLXXDFNLPXLAT-UHFFFAOYSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38477709
N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46803189

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide (CID 46580011) is N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide is O=C(Nc1cccc(OCC2CCCO2)c1)c1ccsc1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide?
The InChIKey is RCLXXDFNLPXLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(12-6-8-21-11-12)17-13-3-1-4-14(9-13)20-10-15-5-2-7-19-15/h1,3-4,6,8-9,11,15H,2,5,7,10H2,(H,17,18).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 46580011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).