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

C14H14ClNOS — CID 62053567

IUPAC1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1Cl)Cc1ccsc1
InChIInChI=1S/C14H14ClNOS/c1-16(8-11-6-7-18-10-11)9-14(17)12-4-2-3-5-13(12)15/h2-7,10H,8-9H2,1H3
InChIKeySPLXQVZUVXEUGQ-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.72
Rot. Bonds5

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

1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone (PubChem CID 62053567) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
PubChem CID62053567
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1Cl)Cc1ccsc1
InChIInChI=1S/C14H14ClNOS/c1-16(8-11-6-7-18-10-11)9-14(17)12-4-2-3-5-13(12)15/h2-7,10H,8-9H2,1H3
InChIKeySPLXQVZUVXEUGQ-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62052197
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051999
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
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054347

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone (CID 62053567) is 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone is CN(CC(=O)c1ccccc1Cl)Cc1ccsc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The InChIKey is SPLXQVZUVXEUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-16(8-11-6-7-18-10-11)9-14(17)12-4-2-3-5-13(12)15/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone has a molecular weight of 279.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 62053567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).