N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide

C16H15NO3 — CID 124891983

IUPACN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccoc1
InChIInChI=1S/C16H15NO3/c1-11(17-16(18)13-6-7-19-10-13)8-14-9-12-4-2-3-5-15(12)20-14/h2-7,9-11H,8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyKXZJMKXHWGQQBY-NSHDSACASA-N
MW269.30 g/mol
LogP3.39
Rot. Bonds4

About N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide (PubChem CID 124891983) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
PubChem CID124891983
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccoc1
InChIInChI=1S/C16H15NO3/c1-11(17-16(18)13-6-7-19-10-13)8-14-9-12-4-2-3-5-15(12)20-14/h2-7,9-11H,8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyKXZJMKXHWGQQBY-NSHDSACASA-N
XLogP3.39
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
CID 124761350
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
CID 124892455
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
CID 124725331
N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide
CID 97086513
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide (CID 124891983) is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide is C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccoc1.
What is the InChIKey of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide?
The InChIKey is KXZJMKXHWGQQBY-NSHDSACASA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(17-16(18)13-6-7-19-10-13)8-14-9-12-4-2-3-5-15(12)20-14/h2-7,9-11H,8H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide?
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 124891983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).