2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid

C14H14ClNO2S — CID 61441934

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
SMILESCN(Cc1ccc(Cl)s1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c1-16(9-11-7-8-12(15)19-11)13(14(17)18)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,17,18)
InChIKeyWPIYQITYCBUVDO-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.66
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid (PubChem CID 61441934) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
PubChem CID61441934
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
SMILESCN(Cc1ccc(Cl)s1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c1-16(9-11-7-8-12(15)19-11)13(14(17)18)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,17,18)
InChIKeyWPIYQITYCBUVDO-UHFFFAOYSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017456
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 51178868
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
(1R)-N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 112736530
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 61438822
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
CID 55361168
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid (CID 61441934) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid is CN(Cc1ccc(Cl)s1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid?
The InChIKey is WPIYQITYCBUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-16(9-11-7-8-12(15)19-11)13(14(17)18)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid has a molecular weight of 295.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid is sourced from PubChem (CID 61441934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).