N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C21H14Cl2N2O2S — CID 4027629

IUPACN-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H14Cl2N2O2S/c22-13-8-14(23)10-15(9-13)24-20(26)12-25-11-17(16-4-1-2-5-18(16)25)21(27)19-6-3-7-28-19/h1-11H,12H2,(H,24,26)
InChIKeyWGONQEJSTIBNDF-UHFFFAOYSA-N
MW429.33 g/mol
LogP5.88
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 4027629) has the molecular formula C21H14Cl2N2O2S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID4027629
Molecular FormulaC21H14Cl2N2O2S
Molecular Weight429.33 g/mol
Exact Mass428.02
IUPAC NameN-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H14Cl2N2O2S/c22-13-8-14(23)10-15(9-13)24-20(26)12-25-11-17(16-4-1-2-5-18(16)25)21(27)19-6-3-7-28-19/h1-11H,12H2,(H,24,26)
InChIKeyWGONQEJSTIBNDF-UHFFFAOYSA-N
XLogP5.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 5043393
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate
CID 29335276
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 5302279
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
CID 3619438
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1095465
N-[2-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
CID 5003146
2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2974288

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 4027629) is N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is WGONQEJSTIBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2S/c22-13-8-14(23)10-15(9-13)24-20(26)12-25-11-17(16-4-1-2-5-18(16)25)21(27)19-6-3-7-28-19/h1-11H,12H2,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 429.33 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 4027629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).