N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide

C21H24N2O3S — CID 110356694

IUPACN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)CCCC(=O)c3cccs3)ccc21
InChIInChI=1S/C21H24N2O3S/c1-14(2)21(26)23-11-10-15-13-16(8-9-17(15)23)22-20(25)7-3-5-18(24)19-6-4-12-27-19/h4,6,8-9,12-14H,3,5,7,10-11H2,1-2H3,(H,22,25)
InChIKeyZYEMFMBROMFFFZ-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.28
Rot. Bonds7

About N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide

N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110356694) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110356694
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)CCCC(=O)c3cccs3)ccc21
InChIInChI=1S/C21H24N2O3S/c1-14(2)21(26)23-11-10-15-13-16(8-9-17(15)23)22-20(25)7-3-5-18(24)19-6-4-12-27-19/h4,6,8-9,12-14H,3,5,7,10-11H2,1-2H3,(H,22,25)
InChIKeyZYEMFMBROMFFFZ-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
CID 110609573
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
CID 7657511
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358449
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide (CID 110356694) is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide is CC(C)C(=O)N1CCc2cc(NC(=O)CCCC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is ZYEMFMBROMFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14(2)21(26)23-11-10-15-13-16(8-9-17(15)23)22-20(25)7-3-5-18(24)19-6-4-12-27-19/h4,6,8-9,12-14H,3,5,7,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 384.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110356694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).