N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C23H20N2O3S — CID 55901197

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)C2Cc3ccccc3S2)c1)Nc1ccccc1
InChIInChI=1S/C23H20N2O3S/c26-22(24-17-8-2-1-3-9-17)15-28-19-11-6-10-18(14-19)25-23(27)21-13-16-7-4-5-12-20(16)29-21/h1-12,14,21H,13,15H2,(H,24,26)(H,25,27)
InChIKeyMXUYWFYCTMHDLD-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.36
Rot. Bonds6

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 55901197) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID55901197
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)C2Cc3ccccc3S2)c1)Nc1ccccc1
InChIInChI=1S/C23H20N2O3S/c26-22(24-17-8-2-1-3-9-17)15-28-19-11-6-10-18(14-19)25-23(27)21-13-16-7-4-5-12-20(16)29-21/h1-12,14,21H,13,15H2,(H,24,26)(H,25,27)
InChIKeyMXUYWFYCTMHDLD-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
1-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076825
N-[3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46546603

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 55901197) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(COc1cccc(NC(=O)C2Cc3ccccc3S2)c1)Nc1ccccc1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is MXUYWFYCTMHDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-22(24-17-8-2-1-3-9-17)15-28-19-11-6-10-18(14-19)25-23(27)21-13-16-7-4-5-12-20(16)29-21/h1-12,14,21H,13,15H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55901197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).