N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide

C25H26N2O2S — CID 39045691

IUPACN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C25H26N2O2S/c28-23(24-8-4-16-30-24)7-3-9-25(29)26-17-19-10-12-20(13-11-19)18-27-15-14-21-5-1-2-6-22(21)27/h1-2,4-6,8,10-13,16H,3,7,9,14-15,17-18H2,(H,26,29)
InChIKeyOWZUTJRYXSISIC-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.98
Rot. Bonds9

About N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide

N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 39045691) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID39045691
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C25H26N2O2S/c28-23(24-8-4-16-30-24)7-3-9-25(29)26-17-19-10-12-20(13-11-19)18-27-15-14-21-5-1-2-6-22(21)27/h1-2,4-6,8,10-13,16H,3,7,9,14-15,17-18H2,(H,26,29)
InChIKeyOWZUTJRYXSISIC-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]carbamate
CID 52585740
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838221
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 55678782
N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 39046356
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55675974
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110301315
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 55965309
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
CID 52608840

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide (CID 39045691) is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)NCc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is OWZUTJRYXSISIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c28-23(24-8-4-16-30-24)7-3-9-25(29)26-17-19-10-12-20(13-11-19)18-27-15-14-21-5-1-2-6-22(21)27/h1-2,4-6,8,10-13,16H,3,7,9,14-15,17-18H2,(H,26,29).
What are the key properties of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 418.56 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 39045691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).