2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid

C14H15N3O3S — CID 115285271

IUPAC2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NCCc1ccncc1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H15N3O3S/c18-13(19)12(11-2-1-9-21-11)17-14(20)16-8-5-10-3-6-15-7-4-10/h1-4,6-7,9,12H,5,8H2,(H,18,19)(H2,16,17,20)
InChIKeyDBQHFMZPIDEGBQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid

2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115285271) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
PubChem CID115285271
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NCCc1ccncc1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H15N3O3S/c18-13(19)12(11-2-1-9-21-11)17-14(20)16-8-5-10-3-6-15-7-4-10/h1-4,6-7,9,12H,5,8H2,(H,18,19)(H2,16,17,20)
InChIKeyDBQHFMZPIDEGBQ-UHFFFAOYSA-N
XLogP1.81
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285189
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
2-(pentylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 113278870
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2S)-2-hydroxy-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 107838621
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-thiophen-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 115285553
2-(2-prop-2-enylsulfanylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 106430661
2-[2-(3-methylbutoxy)ethylcarbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285451
(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61189678
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid (CID 115285271) is 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid is O=C(NCCc1ccncc1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is DBQHFMZPIDEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(19)12(11-2-1-9-21-11)17-14(20)16-8-5-10-3-6-15-7-4-10/h1-4,6-7,9,12H,5,8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 305.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).