(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide

C21H20N2O3S — CID 2415110

IUPAC(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)NCc1cccs1)oc1ccccc12
InChIInChI=1S/C21H20N2O3S/c1-13(22-12-14-6-5-9-27-14)21(24)23-17-11-19-16(10-20(17)25-2)15-7-3-4-8-18(15)26-19/h3-11,13,22H,12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyGZTZAMGRKJTTDR-CYBMUJFWSA-N
MW380.47 g/mol
LogP4.77
Rot. Bonds6

About (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide

(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide (PubChem CID 2415110) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
PubChem CID2415110
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)NCc1cccs1)oc1ccccc12
InChIInChI=1S/C21H20N2O3S/c1-13(22-12-14-6-5-9-27-14)21(24)23-17-11-19-16(10-20(17)25-2)15-7-3-4-8-18(15)26-19/h3-11,13,22H,12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyGZTZAMGRKJTTDR-CYBMUJFWSA-N
XLogP4.77
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2402948
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434107
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434105
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054812
(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 8920314
3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3257798
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8877982
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide (CID 2415110) is (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide is COc1cc2c(cc1NC(=O)[C@@H](C)NCc1cccs1)oc1ccccc12.
What is the InChIKey of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is GZTZAMGRKJTTDR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13(22-12-14-6-5-9-27-14)21(24)23-17-11-19-16(10-20(17)25-2)15-7-3-4-8-18(15)26-19/h3-11,13,22H,12H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide?
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 380.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 2415110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).