2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

C15H22N2O3S — CID 115285149

IUPAC2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCCN(C(=O)NC(C(=O)O)c1cccs1)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-2-17(11-7-4-3-5-8-11)15(20)16-13(14(18)19)12-9-6-10-21-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyOCVBRVQZCVZINR-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.24
Rot. Bonds5

About 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115285149) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115285149
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCCN(C(=O)NC(C(=O)O)c1cccs1)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-2-17(11-7-4-3-5-8-11)15(20)16-13(14(18)19)12-9-6-10-21-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyOCVBRVQZCVZINR-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic 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-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278882
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285276

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (CID 115285149) is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is CCN(C(=O)NC(C(=O)O)c1cccs1)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is OCVBRVQZCVZINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-17(11-7-4-3-5-8-11)15(20)16-13(14(18)19)12-9-6-10-21-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 310.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).