N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide

C25H24N2O2S — CID 24666522

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H24N2O2S/c28-23(24-13-7-15-30-24)12-6-14-25(29)27-16-20(18-8-2-1-3-9-18)21-17-26-22-11-5-4-10-19(21)22/h1-5,7-11,13,15,17,20,26H,6,12,14,16H2,(H,27,29)
InChIKeyVSZUTQBPVXIPAV-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.53
Rot. Bonds9

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 24666522) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID24666522
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H24N2O2S/c28-23(24-13-7-15-30-24)12-6-14-25(29)27-16-20(18-8-2-1-3-9-18)21-17-26-22-11-5-4-10-19(21)22/h1-5,7-11,13,15,17,20,26H,6,12,14,16H2,(H,27,29)
InChIKeyVSZUTQBPVXIPAV-UHFFFAOYSA-N
XLogP5.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 35124002
N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60519954
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 42886694
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 94036177
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide (CID 24666522) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is VSZUTQBPVXIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c28-23(24-13-7-15-30-24)12-6-14-25(29)27-16-20(18-8-2-1-3-9-18)21-17-26-22-11-5-4-10-19(21)22/h1-5,7-11,13,15,17,20,26H,6,12,14,16H2,(H,27,29).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 416.55 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 24666522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).