2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid

C15H22N2O3S — CID 115285275

IUPAC2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NCCC1CCCCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-14(19)13(12-7-4-10-21-12)17-15(20)16-9-8-11-5-2-1-3-6-11/h4,7,10-11,13H,1-3,5-6,8-9H2,(H,18,19)(H2,16,17,20)
InChIKeyAJYTZHPUJXMOHH-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid

2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115285275) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
PubChem CID115285275
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NCCC1CCCCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-14(19)13(12-7-4-10-21-12)17-15(20)16-9-8-11-5-2-1-3-6-11/h4,7,10-11,13H,1-3,5-6,8-9H2,(H,18,19)(H2,16,17,20)
InChIKeyAJYTZHPUJXMOHH-UHFFFAOYSA-N
XLogP3.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-(oxan-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285548
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-(pentylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 113278870
2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285271
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
2-thiophen-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 115285553
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide
CID 75427232

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid (CID 115285275) is 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid is O=C(NCCC1CCCCC1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is AJYTZHPUJXMOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-14(19)13(12-7-4-10-21-12)17-15(20)16-9-8-11-5-2-1-3-6-11/h4,7,10-11,13H,1-3,5-6,8-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid?
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 310.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).