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

C14H14N2O4S — CID 63244370

IUPAC2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)NCc2ccsc2)c1
InChIInChI=1S/C14H14N2O4S/c17-13(18)8-20-12-3-1-2-11(6-12)16-14(19)15-7-10-4-5-21-9-10/h1-6,9H,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyFDVGAMWKMQVUIL-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.53
Rot. Bonds6

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

2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63244370) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
PubChem CID63244370
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)NCc2ccsc2)c1
InChIInChI=1S/C14H14N2O4S/c17-13(18)8-20-12-3-1-2-11(6-12)16-14(19)15-7-10-4-5-21-9-10/h1-6,9H,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyFDVGAMWKMQVUIL-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

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Related Compounds

2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63747084
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 61188088
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-(pent-4-ynylcarbamoylamino)phenoxy]acetic acid
CID 106222868
2-[3-(pent-3-ynylcarbamoylamino)phenoxy]acetic acid
CID 116644726
1-benzyl-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616101

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid (CID 63244370) is 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)NCc2ccsc2)c1.
What is the InChIKey of 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is FDVGAMWKMQVUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-13(18)8-20-12-3-1-2-11(6-12)16-14(19)15-7-10-4-5-21-9-10/h1-6,9H,7-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid?
2-[3-(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-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63244370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).