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

C26H31N3O4S — CID 41050466

IUPAC4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)cc1
InChIInChI=1S/C26H31N3O4S/c1-2-32-20-11-9-19(10-12-20)26(31)27-13-14-29-17-24(22-7-3-4-8-23(22)29)34-18-25(30)28-16-21-6-5-15-33-21/h3-4,7-12,17,21H,2,5-6,13-16,18H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1
InChIKeyAMKPHBJJDGUURS-OAQYLSRUSA-N
MW481.62 g/mol
LogP3.86
Rot. Bonds11

About 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide

4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 41050466) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID41050466
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)cc1
InChIInChI=1S/C26H31N3O4S/c1-2-32-20-11-9-19(10-12-20)26(31)27-13-14-29-17-24(22-7-3-4-8-23(22)29)34-18-25(30)28-16-21-6-5-15-33-21/h3-4,7-12,17,21H,2,5-6,13-16,18H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1
InChIKeyAMKPHBJJDGUURS-OAQYLSRUSA-N
XLogP3.86
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-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

2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 41050435
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-(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-(4-nitroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4649359
ethyl 2-[[2-[1-[2-[(4-ethoxybenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4686723
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 20902541
4-methyl-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4244757
N-[2-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide
CID 4608405
4-methoxy-N-[2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethyl]benzamide
CID 3351857
4-ethoxy-N-[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 40832747

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 41050466) is 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is AMKPHBJJDGUURS-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-2-32-20-11-9-19(10-12-20)26(31)27-13-14-29-17-24(22-7-3-4-8-23(22)29)34-18-25(30)28-16-21-6-5-15-33-21/h3-4,7-12,17,21H,2,5-6,13-16,18H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1.
What are the key properties of 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide?
4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 41050466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).