4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide

C25H29N3O3S — CID 3351857

IUPAC4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C25H29N3O3S/c1-31-20-11-9-19(10-12-20)25(30)26-13-16-28-17-23(21-7-3-4-8-22(21)28)32-18-24(29)27-14-5-2-6-15-27/h3-4,7-12,17H,2,5-6,13-16,18H2,1H3,(H,26,30)
InChIKeyFGMVPXBOZIUGFL-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.18
Rot. Bonds8

About 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide

4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 3351857) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide
PubChem CID3351857
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C25H29N3O3S/c1-31-20-11-9-19(10-12-20)25(30)26-13-16-28-17-23(21-7-3-4-8-22(21)28)32-18-24(29)27-14-5-2-6-15-27/h3-4,7-12,17H,2,5-6,13-16,18H2,1H3,(H,26,30)
InChIKeyFGMVPXBOZIUGFL-UHFFFAOYSA-N
XLogP4.18
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide
CID 4608405
N-[2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
CID 4141847
N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxybenzamide
CID 4118280
ethyl 4-[2-[1-[2-[(3,4-dimethylbenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 3400592
N-[2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
CID 5219888
N-[2-[3-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide
CID 4118800
N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4096729
4-ethoxy-N-[2-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3528815
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-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide
CID 5080057
2,4-dichloro-N-[2-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4215918
N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4131124

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide (CID 3351857) is 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c3ccccc32)cc1.
What is the InChIKey of 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is FGMVPXBOZIUGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-31-20-11-9-19(10-12-20)25(30)26-13-16-28-17-23(21-7-3-4-8-22(21)28)32-18-24(29)27-14-5-2-6-15-27/h3-4,7-12,17H,2,5-6,13-16,18H2,1H3,(H,26,30).
What are the key properties of 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 451.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 3351857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).