3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one

C14H14ClNOS — CID 878901

IUPAC3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H14ClNOS/c1-10-4-5-11(9-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyQXDHRZHCBIPAQN-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.39
Rot. Bonds5

About 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one

3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one (PubChem CID 878901) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one
PubChem CID878901
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H14ClNOS/c1-10-4-5-11(9-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyQXDHRZHCBIPAQN-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chloroanilino)-1-(2-thienyl)-1-propanone
CID 587745
3-[(4-Methylphenyl)amino]-1-(2-thienyl)-1-propanone
CID 877310
3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
CID 800191
N-(3-chloro-4-methylphenyl)-2-(2-thienyl)acetamide
CID 823403
3-(3,4-Dimethylanilino)-1-thiophen-2-yl-1-propanone
CID 855037
N-(3-chloro-2-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2413150
3-[(4-Methylphenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2210959
(E)-1-(5-iodothiophen-2-yl)-3-[4-(methylamino)phenyl]prop-2-en-1-one
CID 44435181
3-[(3,5-Dichlorophenyl)amino]-1-(2-thienyl)-1-propanone
CID 2230040
N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 3296993
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(thiophene-3-carbonylamino)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 70689576
N-(3-chloro-2-methylphenyl)-2-(2-thienyl)acetamide
CID 836206

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one (CID 878901) is 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one is Cc1ccc(NCCC(=O)c2cccs2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is QXDHRZHCBIPAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10-4-5-11(9-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 279.79 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 878901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).