N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide

C16H16N2O4 — CID 860518

IUPACN-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccco1
InChIInChI=1S/C16H16N2O4/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-2,4-6,8,10,14H,3,7,9H2,(H,17,19)(H,18,20)/t14-/m0/s1
InChIKeyRHNOYNLSROCDNA-AWEZNQCLSA-N
MW300.31 g/mol
LogP2.65
Rot. Bonds4

About N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide

N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide (PubChem CID 860518) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide
PubChem CID860518
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccco1
InChIInChI=1S/C16H16N2O4/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-2,4-6,8,10,14H,3,7,9H2,(H,17,19)(H,18,20)/t14-/m0/s1
InChIKeyRHNOYNLSROCDNA-AWEZNQCLSA-N
XLogP2.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide (CID 860518) is N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccco1.
What is the InChIKey of N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is RHNOYNLSROCDNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-2,4-6,8,10,14H,3,7,9H2,(H,17,19)(H,18,20)/t14-/m0/s1.
What are the key properties of N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 860518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).