1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide

C22H21N3O2S — CID 53160126

IUPAC1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESO=C(NCCc1cccs1)c1cccc2c1CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O2S/c26-21(23-13-11-17-8-5-15-28-17)19-9-4-10-20-18(19)12-14-25(20)22(27)24-16-6-2-1-3-7-16/h1-10,15H,11-14H2,(H,23,26)(H,24,27)
InChIKeyUJYYCBANAJOCHO-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.32
Rot. Bonds5

About 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide

1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53160126) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53160126
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESO=C(NCCc1cccs1)c1cccc2c1CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O2S/c26-21(23-13-11-17-8-5-15-28-17)19-9-4-10-20-18(19)12-14-25(20)22(27)24-16-6-2-1-3-7-16/h1-10,15H,11-14H2,(H,23,26)(H,24,27)
InChIKeyUJYYCBANAJOCHO-UHFFFAOYSA-N
XLogP4.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide
CID 53160128
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46354001
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100010
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
3-fluoro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 81498275
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100016

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 53160126) is 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide is O=C(NCCc1cccs1)c1cccc2c1CCN2C(=O)Nc1ccccc1.
What is the InChIKey of 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is UJYYCBANAJOCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-21(23-13-11-17-8-5-15-28-17)19-9-4-10-20-18(19)12-14-25(20)22(27)24-16-6-2-1-3-7-16/h1-10,15H,11-14H2,(H,23,26)(H,24,27).
What are the key properties of 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53160126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).