5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid

C12H16N2O4S — CID 83100843

IUPAC5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
SMILESCCNC(=O)C1COCCN1c1ccc(C(=O)O)s1
InChIInChI=1S/C12H16N2O4S/c1-2-13-11(15)8-7-18-6-5-14(8)10-4-3-9(19-10)12(16)17/h3-4,8H,2,5-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyCDKOPARCMMAMJO-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.79
Rot. Bonds4

About 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid

5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid (PubChem CID 83100843) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
PubChem CID83100843
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
SMILESCCNC(=O)C1COCCN1c1ccc(C(=O)O)s1
InChIInChI=1S/C12H16N2O4S/c1-2-13-11(15)8-7-18-6-5-14(8)10-4-3-9(19-10)12(16)17/h3-4,8H,2,5-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyCDKOPARCMMAMJO-UHFFFAOYSA-N
XLogP0.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic 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

5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
CID 83095887
N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
CID 83101761
4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
CID 116797240
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 83104712
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylmorpholine-3-carboxamide
CID 83107123
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid (CID 83100843) is 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid is CCNC(=O)C1COCCN1c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid?
The InChIKey is CDKOPARCMMAMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-13-11(15)8-7-18-6-5-14(8)10-4-3-9(19-10)12(16)17/h3-4,8H,2,5-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid?
5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 83100843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).