N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C25H20N2O3S2 — CID 4518589

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1cc2c(cc1NC(=O)C(C)Sc1nc(-c3ccccc3)cs1)oc1ccccc12
InChIInChI=1S/C25H20N2O3S2/c1-15(32-25-27-20(14-31-25)16-8-4-3-5-9-16)24(28)26-19-13-22-18(12-23(19)29-2)17-10-6-7-11-21(17)30-22/h3-15H,1-2H3,(H,26,28)
InChIKeyFFTKOUSFPLGSIS-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.84
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 4518589) has the molecular formula C25H20N2O3S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID4518589
Molecular FormulaC25H20N2O3S2
Molecular Weight460.58 g/mol
Exact Mass460.09
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1cc2c(cc1NC(=O)C(C)Sc1nc(-c3ccccc3)cs1)oc1ccccc12
InChIInChI=1S/C25H20N2O3S2/c1-15(32-25-27-20(14-31-25)16-8-4-3-5-9-16)24(28)26-19-13-22-18(12-23(19)29-2)17-10-6-7-11-21(17)30-22/h3-15H,1-2H3,(H,26,28)
InChIKeyFFTKOUSFPLGSIS-UHFFFAOYSA-N
XLogP6.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7474363
N-(2-methoxydibenzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 4010051
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3487570
(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
CID 4679253
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7737162
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7365406
N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide
CID 2552958
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
CID 3926182
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 4518589) is N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is COc1cc2c(cc1NC(=O)C(C)Sc1nc(-c3ccccc3)cs1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is FFTKOUSFPLGSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S2/c1-15(32-25-27-20(14-31-25)16-8-4-3-5-9-16)24(28)26-19-13-22-18(12-23(19)29-2)17-10-6-7-11-21(17)30-22/h3-15H,1-2H3,(H,26,28).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 460.58 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 4518589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).