1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one

C16H18ClNOS — CID 43794159

IUPAC1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
SMILESCCN(c1ccccc1C)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNOS/c1-4-18(13-8-6-5-7-11(13)2)12(3)16(19)14-9-10-15(17)20-14/h5-10,12H,4H2,1-3H3
InChIKeyNIIISCXWBIHWAM-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.81
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one (PubChem CID 43794159) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
PubChem CID43794159
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
SMILESCCN(c1ccccc1C)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNOS/c1-4-18(13-8-6-5-7-11(13)2)12(3)16(19)14-9-10-15(17)20-14/h5-10,12H,4H2,1-3H3
InChIKeyNIIISCXWBIHWAM-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one
CID 64640149
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
CID 62051078
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
CID 62050574
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
CID 133150346
1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one (CID 43794159) is 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one is CCN(c1ccccc1C)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one?
The InChIKey is NIIISCXWBIHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-4-18(13-8-6-5-7-11(13)2)12(3)16(19)14-9-10-15(17)20-14/h5-10,12H,4H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one has a molecular weight of 307.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one is sourced from PubChem (CID 43794159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).