2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid

C14H14N2O3S — CID 115285112

IUPAC2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NCc1ccccc1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H14N2O3S/c17-13(18)12(11-7-4-8-20-11)16-14(19)15-9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,17,18)(H2,15,16,19)
InChIKeyNYKIXDUOCSVRJS-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.37
Rot. Bonds5

About 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid

2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115285112) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
PubChem CID115285112
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NCc1ccccc1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H14N2O3S/c17-13(18)12(11-7-4-8-20-11)16-14(19)15-9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,17,18)(H2,15,16,19)
InChIKeyNYKIXDUOCSVRJS-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285189
2-(benzylamino)-2-thiophen-2-ylacetic acid
CID 61346757
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285271
2-(pentylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 113278870
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(5-methylhexan-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285557
2-(oxan-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285548
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid (CID 115285112) is 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid is O=C(NCc1ccccc1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is NYKIXDUOCSVRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(18)12(11-7-4-8-20-11)16-14(19)15-9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid?
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).