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

C32H26N2O4S — CID 4679253

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SC(C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1
InChIInChI=1S/C32H26N2O4S/c1-19(32(35)34-27-18-29-25(16-30(27)37-3)23-11-7-8-12-28(23)38-29)39-31-17-24(20-9-5-4-6-10-20)22-14-13-21(36-2)15-26(22)33-31/h4-19H,1-3H3,(H,34,35)
InChIKeyNDZJRJKVYGIHHF-UHFFFAOYSA-N
MW534.64 g/mol
LogP7.94
Rot. Bonds7

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

N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide (PubChem CID 4679253) has the molecular formula C32H26N2O4S and a molecular weight of 534.64 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
PubChem CID4679253
Molecular FormulaC32H26N2O4S
Molecular Weight534.64 g/mol
Exact Mass534.16
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SC(C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1
InChIInChI=1S/C32H26N2O4S/c1-19(32(35)34-27-18-29-25(16-30(27)37-3)23-11-7-8-12-28(23)38-29)39-31-17-24(20-9-5-4-6-10-20)22-14-13-21(36-2)15-26(22)33-31/h4-19H,1-3H3,(H,34,35)
InChIKeyNDZJRJKVYGIHHF-UHFFFAOYSA-N
XLogP7.94
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
CID 3926182
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 2548817
N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4518589
(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25349930
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(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-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 40926731
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7365406
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3487570

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide (CID 4679253) is N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide is COc1ccc2c(-c3ccccc3)cc(SC(C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is NDZJRJKVYGIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O4S/c1-19(32(35)34-27-18-29-25(16-30(27)37-3)23-11-7-8-12-28(23)38-29)39-31-17-24(20-9-5-4-6-10-20)22-14-13-21(36-2)15-26(22)33-31/h4-19H,1-3H3,(H,34,35).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 534.64 g/mol, XLogP of 7.94, 7 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-phenylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 4679253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).