2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid

C14H14N2O4S — CID 63747084

IUPAC2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NCc1ccsc1
InChIInChI=1S/C14H14N2O4S/c17-13(18)8-20-12-4-2-1-3-11(12)16-14(19)15-7-10-5-6-21-9-10/h1-6,9H,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyNWRVXJJYAFMYIF-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid

2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63747084) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
PubChem CID63747084
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NCc1ccsc1
InChIInChI=1S/C14H14N2O4S/c17-13(18)8-20-12-4-2-1-3-11(12)16-14(19)15-7-10-5-6-21-9-10/h1-6,9H,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyNWRVXJJYAFMYIF-UHFFFAOYSA-N
XLogP2.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63244370
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
CID 63747077
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
5-chloro-2-(thiophen-3-ylmethylcarbamoylamino)benzoic acid
CID 63244723
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685
4-bromo-2-(thiophen-3-ylmethylcarbamoylamino)benzoic acid
CID 63244279
2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid
CID 114913435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid (CID 63747084) is 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)NCc1ccsc1.
What is the InChIKey of 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is NWRVXJJYAFMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-13(18)8-20-12-4-2-1-3-11(12)16-14(19)15-7-10-5-6-21-9-10/h1-6,9H,7-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 306.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63747084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).