2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid

C20H15N3O3S2 — CID 9497207

IUPAC2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC(=O)NCC(=O)O
InChIInChI=1S/C20H15N3O3S2/c21-10-15-14(13-5-2-1-3-6-13)9-16(17-7-4-8-27-17)23-20(15)28-12-18(24)22-11-19(25)26/h1-9H,11-12H2,(H,22,24)(H,25,26)
InChIKeyHAWUYRKTUPMGJX-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.64
Rot. Bonds7

About 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid

2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid (PubChem CID 9497207) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid
PubChem CID9497207
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC Name2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC(=O)NCC(=O)O
InChIInChI=1S/C20H15N3O3S2/c21-10-15-14(13-5-2-1-3-6-13)9-16(17-7-4-8-27-17)23-20(15)28-12-18(24)22-11-19(25)26/h1-9H,11-12H2,(H,22,24)(H,25,26)
InChIKeyHAWUYRKTUPMGJX-UHFFFAOYSA-N
XLogP3.64
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-{[3-Cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 670417
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
2-[[2-[3-Cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]acetic acid
CID 1886771
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
CID 1002423
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1238361
[(3-Cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)thio]acetic acid
CID 1266293
2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1270666
[({[4-(4-Chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridinyl]sulfanyl}acetyl)amino]acetic acid
CID 9497211
2-[[2-[6-Benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetic acid
CID 1006284
{[3-Cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetic acid
CID 1405185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid (CID 9497207) is 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid is N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid?
The InChIKey is HAWUYRKTUPMGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c21-10-15-14(13-5-2-1-3-6-13)9-16(17-7-4-8-27-17)23-20(15)28-12-18(24)22-11-19(25)26/h1-9H,11-12H2,(H,22,24)(H,25,26).
What are the key properties of 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid?
2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid has a molecular weight of 409.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetyl]amino]acetic acid is sourced from PubChem (CID 9497207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).