1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one

C15H16ClNOS — CID 55099203

IUPAC1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)Cc1ccsc1
InChIInChI=1S/C15H16ClNOS/c1-17(10-12-7-9-19-11-12)8-6-15(18)13-4-2-3-5-14(13)16/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyLVFVCJHQTVIWII-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.11
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one

1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one (PubChem CID 55099203) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
PubChem CID55099203
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)Cc1ccsc1
InChIInChI=1S/C15H16ClNOS/c1-17(10-12-7-9-19-11-12)8-6-15(18)13-4-2-3-5-14(13)16/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyLVFVCJHQTVIWII-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 63493359
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 62642965
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62052197
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 83126332
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide
CID 9054891
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one (CID 55099203) is 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one is CN(CCC(=O)c1ccccc1Cl)Cc1ccsc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
The InChIKey is LVFVCJHQTVIWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-17(10-12-7-9-19-11-12)8-6-15(18)13-4-2-3-5-14(13)16/h2-5,7,9,11H,6,8,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one has a molecular weight of 293.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 55099203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).