N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide

C27H24N2O4S — CID 3926182

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc2c(C)cc(SC(C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1
InChIInChI=1S/C27H24N2O4S/c1-15-11-26(28-21-12-17(31-3)9-10-18(15)21)34-16(2)27(30)29-22-14-24-20(13-25(22)32-4)19-7-5-6-8-23(19)33-24/h5-14,16H,1-4H3,(H,29,30)
InChIKeyAKVCYSOZUINOBV-UHFFFAOYSA-N
MW472.57 g/mol
LogP6.58
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide

N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide (PubChem CID 3926182) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
PubChem CID3926182
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc2c(C)cc(SC(C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1
InChIInChI=1S/C27H24N2O4S/c1-15-11-26(28-21-12-17(31-3)9-10-18(15)21)34-16(2)27(30)29-22-14-24-20(13-25(22)32-4)19-7-5-6-8-23(19)33-24/h5-14,16H,1-4H3,(H,29,30)
InChIKeyAKVCYSOZUINOBV-UHFFFAOYSA-N
XLogP6.58
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
CID 4679253
(2S)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2088536
(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide
CID 25411874
(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)-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-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4518589
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3487570
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 40926731

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide (CID 3926182) is N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide is COc1ccc2c(C)cc(SC(C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is AKVCYSOZUINOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-15-11-26(28-21-12-17(31-3)9-10-18(15)21)34-16(2)27(30)29-22-14-24-20(13-25(22)32-4)19-7-5-6-8-23(19)33-24/h5-14,16H,1-4H3,(H,29,30).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide?
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 472.57 g/mol, XLogP of 6.58, 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-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 3926182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).