2-anilino-1-(5-chlorothiophen-2-yl)ethanone

C12H10ClNOS — CID 82119570

IUPAC2-anilino-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CNc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClNOS/c13-12-7-6-11(16-12)10(15)8-14-9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKeyIOGSHRRKXIIURY-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.70
Rot. Bonds4

About 2-anilino-1-(5-chlorothiophen-2-yl)ethanone

2-anilino-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 82119570) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 2-anilino-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID82119570
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name2-anilino-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CNc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClNOS/c13-12-7-6-11(16-12)10(15)8-14-9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKeyIOGSHRRKXIIURY-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-anilino-1-(2-chlorophenyl)ethanone
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2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
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1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
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1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 94257066
1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
CID 94261007
1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
CID 62030962
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
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1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-anilino-1-(5-chlorothiophen-2-yl)ethanone (CID 82119570) is 2-anilino-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-anilino-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-anilino-1-(5-chlorothiophen-2-yl)ethanone is O=C(CNc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 2-anilino-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is IOGSHRRKXIIURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-12-7-6-11(16-12)10(15)8-14-9-4-2-1-3-5-9/h1-7,14H,8H2.
What are the key properties of 2-anilino-1-(5-chlorothiophen-2-yl)ethanone?
2-anilino-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 251.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 82119570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).