1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone

C16H18ClNOS — CID 79476527

IUPAC1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-11(9-14-5-4-8-20-14)18(3)16-7-6-13(12(2)19)10-15(16)17/h4-8,10-11H,9H2,1-3H3
InChIKeyRYZLHHQXIQPBMD-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.67
Rot. Bonds5

About 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone

1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone (PubChem CID 79476527) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
PubChem CID79476527
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-11(9-14-5-4-8-20-14)18(3)16-7-6-13(12(2)19)10-15(16)17/h4-8,10-11H,9H2,1-3H3
InChIKeyRYZLHHQXIQPBMD-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
CID 81146289
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
1-(2-chlorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-one
CID 79489640
2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 114861946
3-chloro-N-methyl-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 104839090
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
CID 82970659
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
3-chloro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 63293665

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone (CID 79476527) is 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)C(C)Cc2cccs2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone?
The InChIKey is RYZLHHQXIQPBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-11(9-14-5-4-8-20-14)18(3)16-7-6-13(12(2)19)10-15(16)17/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone?
1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone has a molecular weight of 307.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 79476527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).