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

C16H15NO2S — CID 119106138

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
SMILESCC(Cc1csc2ccccc12)NC(=O)c1ccco1
InChIInChI=1S/C16H15NO2S/c1-11(17-16(18)14-6-4-8-19-14)9-12-10-20-15-7-3-2-5-13(12)15/h2-8,10-11H,9H2,1H3,(H,17,18)
InChIKeyNQLUYMHEQZTDTR-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.86
Rot. Bonds4

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

N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide (PubChem CID 119106138) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
PubChem CID119106138
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
SMILESCC(Cc1csc2ccccc12)NC(=O)c1ccco1
InChIInChI=1S/C16H15NO2S/c1-11(17-16(18)14-6-4-8-19-14)9-12-10-20-15-7-3-2-5-13(12)15/h2-8,10-11H,9H2,1H3,(H,17,18)
InChIKeyNQLUYMHEQZTDTR-UHFFFAOYSA-N
XLogP3.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 121023381
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 119106181
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 171136942
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
CID 87362441

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide (CID 119106138) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide is CC(Cc1csc2ccccc12)NC(=O)c1ccco1.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide?
The InChIKey is NQLUYMHEQZTDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11(17-16(18)14-6-4-8-19-14)9-12-10-20-15-7-3-2-5-13(12)15/h2-8,10-11H,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119106138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).