2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide

C25H29N3O4S — CID 41050435

IUPAC2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)NC[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C25H29N3O4S/c1-31-22-11-5-3-9-20(22)25(30)26-12-13-28-16-23(19-8-2-4-10-21(19)28)33-17-24(29)27-15-18-7-6-14-32-18/h2-5,8-11,16,18H,6-7,12-15,17H2,1H3,(H,26,30)(H,27,29)/t18-/m1/s1
InChIKeyBHEPXHRCIQPUCW-GOSISDBHSA-N
MW467.59 g/mol
LogP3.47
Rot. Bonds10

About 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide

2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 41050435) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID41050435
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)NC[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C25H29N3O4S/c1-31-22-11-5-3-9-20(22)25(30)26-12-13-28-16-23(19-8-2-4-10-21(19)28)33-17-24(29)27-15-18-7-6-14-32-18/h2-5,8-11,16,18H,6-7,12-15,17H2,1H3,(H,26,30)(H,27,29)/t18-/m1/s1
InChIKeyBHEPXHRCIQPUCW-GOSISDBHSA-N
XLogP3.47
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide with MolForge

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Related Compounds

4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 41050466
N-[2-[3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 41050370
N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
CID 5105743
N-[2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
CID 5066288
N-[2-[3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
CID 4301484
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 20902541
2-methoxy-N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 24892667
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3335860
2-fluoro-N-[2-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4228532
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 41050435) is 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCn1cc(SCC(=O)NC[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is BHEPXHRCIQPUCW-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-31-22-11-5-3-9-20(22)25(30)26-12-13-28-16-23(19-8-2-4-10-21(19)28)33-17-24(29)27-15-18-7-6-14-32-18/h2-5,8-11,16,18H,6-7,12-15,17H2,1H3,(H,26,30)(H,27,29)/t18-/m1/s1.
What are the key properties of 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 467.59 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 41050435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).