2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid

C15H15NO3S — CID 81318404

IUPAC2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)Cc1cccs1
InChIInChI=1S/C15H15NO3S/c17-14(9-13-6-3-7-20-13)16-10-12-5-2-1-4-11(12)8-15(18)19/h1-7H,8-10H2,(H,16,17)(H,18,19)
InChIKeyHOFWBVMJOGJHNN-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.23
Rot. Bonds6

About 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid

2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid (PubChem CID 81318404) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
PubChem CID81318404
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)Cc1cccs1
InChIInChI=1S/C15H15NO3S/c17-14(9-13-6-3-7-20-13)16-10-12-5-2-1-4-11(12)8-15(18)19/h1-7H,8-10H2,(H,16,17)(H,18,19)
InChIKeyHOFWBVMJOGJHNN-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 110642169
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid
CID 122180360
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid (CID 81318404) is 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNC(=O)Cc1cccs1.
What is the InChIKey of 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid?
The InChIKey is HOFWBVMJOGJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(9-13-6-3-7-20-13)16-10-12-5-2-1-4-11(12)8-15(18)19/h1-7H,8-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid has a molecular weight of 289.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81318404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).