N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide

C16H17NO3S — CID 41444816

IUPACN-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccs1
InChIInChI=1S/C16H17NO3S/c18-16(15-7-3-9-21-15)17-12-4-1-5-13(10-12)20-11-14-6-2-8-19-14/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,17,18)/t14-/m0/s1
InChIKeyZKFYFPRUTAVHQU-AWEZNQCLSA-N
MW303.38 g/mol
LogP3.56
Rot. Bonds5

About N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide

N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide (PubChem CID 41444816) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
PubChem CID41444816
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccs1
InChIInChI=1S/C16H17NO3S/c18-16(15-7-3-9-21-15)17-12-4-1-5-13(10-12)20-11-14-6-2-8-19-14/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,17,18)/t14-/m0/s1
InChIKeyZKFYFPRUTAVHQU-AWEZNQCLSA-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-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
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
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
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
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide (CID 41444816) is N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccs1.
What is the InChIKey of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is ZKFYFPRUTAVHQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(15-7-3-9-21-15)17-12-4-1-5-13(10-12)20-11-14-6-2-8-19-14/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide?
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-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-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 41444816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).