2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone

C24H19NO2S2 — CID 160839324

IUPAC2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccc(Nc2ccc(CC(=O)c3cccs3)cc2)cc1)c1cccs1
InChIInChI=1S/C24H19NO2S2/c26-21(23-3-1-13-28-23)15-17-5-9-19(10-6-17)25-20-11-7-18(8-12-20)16-22(27)24-4-2-14-29-24/h1-14,25H,15-16H2
InChIKeySHUZBVUYXXJORE-UHFFFAOYSA-N
MW417.56 g/mol
LogP6.40
Rot. Bonds8

About 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone

2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone (PubChem CID 160839324) has the molecular formula C24H19NO2S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
PubChem CID160839324
Molecular FormulaC24H19NO2S2
Molecular Weight417.56 g/mol
Exact Mass417.09
IUPAC Name2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccc(Nc2ccc(CC(=O)c3cccs3)cc2)cc1)c1cccs1
InChIInChI=1S/C24H19NO2S2/c26-21(23-3-1-13-28-23)15-17-5-9-19(10-6-17)25-20-11-7-18(8-12-20)16-22(27)24-4-2-14-29-24/h1-14,25H,15-16H2
InChIKeySHUZBVUYXXJORE-UHFFFAOYSA-N
XLogP6.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone
CID 158137220
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
1-thiophen-2-ylpropan-1-one
CID 26179
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2581890
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
CID 21391799
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone (CID 160839324) is 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone is O=C(Cc1ccc(Nc2ccc(CC(=O)c3cccs3)cc2)cc1)c1cccs1.
What is the InChIKey of 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone?
The InChIKey is SHUZBVUYXXJORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S2/c26-21(23-3-1-13-28-23)15-17-5-9-19(10-6-17)25-20-11-7-18(8-12-20)16-22(27)24-4-2-14-29-24/h1-14,25H,15-16H2.
What are the key properties of 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone?
2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone has a molecular weight of 417.56 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 160839324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).