N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

C19H20N2O2S2 — CID 119614460

IUPACN-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESNCC(NC(=O)c1oc2ccccc2c1CSc1cccs1)C1CC1
InChIInChI=1S/C19H20N2O2S2/c20-10-15(12-7-8-12)21-19(22)18-14(11-25-17-6-3-9-24-17)13-4-1-2-5-16(13)23-18/h1-6,9,12,15H,7-8,10-11,20H2,(H,21,22)
InChIKeyVEZUPEPGAQRGAY-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.25
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 119614460) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID119614460
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESNCC(NC(=O)c1oc2ccccc2c1CSc1cccs1)C1CC1
InChIInChI=1S/C19H20N2O2S2/c20-10-15(12-7-8-12)21-19(22)18-14(11-25-17-6-3-9-24-17)13-4-1-2-5-16(13)23-18/h1-6,9,12,15H,7-8,10-11,20H2,(H,21,22)
InChIKeyVEZUPEPGAQRGAY-UHFFFAOYSA-N
XLogP4.25
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119614459
N-(2-amino-1-cyclopropylethyl)-3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 119617081
N-(oxolan-3-yl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 75431650
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120831036
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 86948705
[4-(methylamino)piperidin-1-yl]-[3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone;hydrochloride
CID 119561189
N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 47082031
N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 119654016
1,4-diazepan-1-yl-[3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone
CID 119415677
(3-methylpiperazin-1-yl)-[3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone;hydrochloride
CID 119577819
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 119614460) is N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide is NCC(NC(=O)c1oc2ccccc2c1CSc1cccs1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is VEZUPEPGAQRGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c20-10-15(12-7-8-12)21-19(22)18-14(11-25-17-6-3-9-24-17)13-4-1-2-5-16(13)23-18/h1-6,9,12,15H,7-8,10-11,20H2,(H,21,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119614460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).