N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C23H20N2O2S — CID 1298670

IUPACN-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCCc1ccccc1
InChIInChI=1S/C23H20N2O2S/c26-22(24-13-12-17-7-2-1-3-8-17)16-25-15-19(18-9-4-5-10-20(18)25)23(27)21-11-6-14-28-21/h1-11,14-15H,12-13,16H2,(H,24,26)
InChIKeyKLYHCOVUDDAFQG-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.29
Rot. Bonds7

About N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1298670) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1298670
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCCc1ccccc1
InChIInChI=1S/C23H20N2O2S/c26-22(24-13-12-17-7-2-1-3-8-17)16-25-15-19(18-9-4-5-10-20(18)25)23(27)21-11-6-14-28-21/h1-11,14-15H,12-13,16H2,(H,24,26)
InChIKeyKLYHCOVUDDAFQG-UHFFFAOYSA-N
XLogP4.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 5043393
N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 4027629
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1095465
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
CID 3619438
methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
CID 35028911
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-[7-methyl-3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide
CID 46953239

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1298670) is N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is KLYHCOVUDDAFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-22(24-13-12-17-7-2-1-3-8-17)16-25-15-19(18-9-4-5-10-20(18)25)23(27)21-11-6-14-28-21/h1-11,14-15H,12-13,16H2,(H,24,26).
What are the key properties of N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1298670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).