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

C16H18ClNOS — CID 62037712

IUPAC1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
SMILESCCN(Cc1cccs1)C(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-3-18(11-15-8-5-9-20-15)12(2)16(19)13-6-4-7-14(17)10-13/h4-10,12H,3,11H2,1-2H3
InChIKeySJQQUCLAOMGUJC-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.49
Rot. Bonds6

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

1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one (PubChem CID 62037712) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
PubChem CID62037712
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
SMILESCCN(Cc1cccs1)C(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-3-18(11-15-8-5-9-20-15)12(2)16(19)13-6-4-7-14(17)10-13/h4-10,12H,3,11H2,1-2H3
InChIKeySJQQUCLAOMGUJC-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-propan-2-ylbenzamide
CID 1059599
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-one
CID 62052677
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-3-chlorobenzamide
CID 93114134
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 62031336
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8718457
3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17014005
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
CID 8718468

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one (CID 62037712) is 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one is CCN(Cc1cccs1)C(C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
The InChIKey is SJQQUCLAOMGUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-3-18(11-15-8-5-9-20-15)12(2)16(19)13-6-4-7-14(17)10-13/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one has a molecular weight of 307.85 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62037712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).