[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C14H14N2O4S — CID 5001001

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)s1
InChIInChI=1S/C14H14N2O4S/c1-9-4-5-12(21-9)14(19)16-7-13(18)20-8-11(17)10-3-2-6-15-10/h2-6,15H,7-8H2,1H3,(H,16,19)
InChIKeyLQIHKMDVJOGYEL-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.54
Rot. Bonds6

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 5001001) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID5001001
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)s1
InChIInChI=1S/C14H14N2O4S/c1-9-4-5-12(21-9)14(19)16-7-13(18)20-8-11(17)10-3-2-6-15-10/h2-6,15H,7-8H2,1H3,(H,16,19)
InChIKeyLQIHKMDVJOGYEL-UHFFFAOYSA-N
XLogP1.54
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 2549851
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate
CID 4848682
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chlorothiophene-2-carboxylate
CID 2474001
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-benzamido-4-methylsulfanylbutanoate
CID 5114967
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-methylthiophene-2-carboxylate
CID 3308150
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate
CID 16274948
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate
CID 4203769
[5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
CID 175992480
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355132
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650969

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 5001001) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)s1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is LQIHKMDVJOGYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-4-5-12(21-9)14(19)16-7-13(18)20-8-11(17)10-3-2-6-15-10/h2-6,15H,7-8H2,1H3,(H,16,19).
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 306.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 5001001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).