N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide

C23H31N3O2S — CID 3190320

IUPACN-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CCN1CCc2ccccc21
InChIInChI=1S/C23H31N3O2S/c1-17(22(28)24-23(2,3)4)26(16-19-9-7-15-29-19)21(27)12-14-25-13-11-18-8-5-6-10-20(18)25/h5-10,15,17H,11-14,16H2,1-4H3,(H,24,28)
InChIKeyWXNDMZMDDSIIQX-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.83
Rot. Bonds7

About N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide

N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 3190320) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide
PubChem CID3190320
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CCN1CCc2ccccc21
InChIInChI=1S/C23H31N3O2S/c1-17(22(28)24-23(2,3)4)26(16-19-9-7-15-29-19)21(27)12-14-25-13-11-18-8-5-6-10-20(18)25/h5-10,15,17H,11-14,16H2,1-4H3,(H,24,28)
InChIKeyWXNDMZMDDSIIQX-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide with MolForge

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Related Compounds

N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 40901954
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110301315
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86912362
N-tert-butyl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43087974
1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
CID 7179244
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64797124
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47125506

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide (CID 3190320) is N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide is CC(C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CCN1CCc2ccccc21.
What is the InChIKey of N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is WXNDMZMDDSIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-17(22(28)24-23(2,3)4)26(16-19-9-7-15-29-19)21(27)12-14-25-13-11-18-8-5-6-10-20(18)25/h5-10,15,17H,11-14,16H2,1-4H3,(H,24,28).
What are the key properties of N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide?
N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 413.59 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 3190320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).