5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide

C18H18N2O2S — CID 97236058

IUPAC5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN[C@@H](c2cc3ccccc3o2)C2CC2)c1
InChIInChI=1S/C18H18N2O2S/c19-18(21)13-7-14(23-10-13)9-20-17(11-5-6-11)16-8-12-3-1-2-4-15(12)22-16/h1-4,7-8,10-11,17,20H,5-6,9H2,(H2,19,21)/t17-/m1/s1
InChIKeyZJRGPWNZDDWYFO-QGZVFWFLSA-N
MW326.42 g/mol
LogP3.83
Rot. Bonds6

About 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide

5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide (PubChem CID 97236058) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide
PubChem CID97236058
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN[C@@H](c2cc3ccccc3o2)C2CC2)c1
InChIInChI=1S/C18H18N2O2S/c19-18(21)13-7-14(23-10-13)9-20-17(11-5-6-11)16-8-12-3-1-2-4-15(12)22-16/h1-4,7-8,10-11,17,20H,5-6,9H2,(H2,19,21)/t17-/m1/s1
InChIKeyZJRGPWNZDDWYFO-QGZVFWFLSA-N
XLogP3.83
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide
CID 97236069
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
(4S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 95908740
N-[1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 75375667
(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide
CID 96532979
[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine
CID 105337847
5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide
CID 113321738
5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
CID 79614506

Frequently Asked Questions

What is the IUPAC name of 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide (CID 97236058) is 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CN[C@@H](c2cc3ccccc3o2)C2CC2)c1.
What is the InChIKey of 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is ZJRGPWNZDDWYFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O2S/c19-18(21)13-7-14(23-10-13)9-20-17(11-5-6-11)16-8-12-3-1-2-4-15(12)22-16/h1-4,7-8,10-11,17,20H,5-6,9H2,(H2,19,21)/t17-/m1/s1.
What are the key properties of 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide?
5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 97236058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).