2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid

C12H15ClN2O3S — CID 106039692

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2O3S/c1-2-7-15(8-11(16)17)12(18)14-6-5-9-3-4-10(13)19-9/h2-4H,1,5-8H2,(H,14,18)(H,16,17)
InChIKeySTPSKXFUFPHREG-UHFFFAOYSA-N
MW302.78 g/mol
LogP2.23
Rot. Bonds7

About 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid

2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid (PubChem CID 106039692) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
PubChem CID106039692
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2O3S/c1-2-7-15(8-11(16)17)12(18)14-6-5-9-3-4-10(13)19-9/h2-4H,1,5-8H2,(H,14,18)(H,16,17)
InChIKeySTPSKXFUFPHREG-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-bromothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 114139760
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-[(5-bromothiophen-2-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285630
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 106262023
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
2-[2-(5-bromothiophen-2-yl)ethylcarbamoyl-prop-2-ynylamino]acetic acid
CID 114139777
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid (CID 106039692) is 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is STPSKXFUFPHREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-2-7-15(8-11(16)17)12(18)14-6-5-9-3-4-10(13)19-9/h2-4H,1,5-8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid?
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 302.78 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 106039692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).