2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid

C13H18N2O4S — CID 63114301

IUPAC2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C13H18N2O4S/c16-7-6-15(9-3-1-2-4-9)13(19)14-11-10(12(17)18)5-8-20-11/h5,8-9,16H,1-4,6-7H2,(H,14,19)(H,17,18)
InChIKeyZSDDEZUBPPQTET-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.22
Rot. Bonds5

About 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114301) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114301
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C13H18N2O4S/c16-7-6-15(9-3-1-2-4-9)13(19)14-11-10(12(17)18)5-8-20-11/h5,8-9,16H,1-4,6-7H2,(H,14,19)(H,17,18)
InChIKeyZSDDEZUBPPQTET-UHFFFAOYSA-N
XLogP2.22
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114402
2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114405
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114134
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177894
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
3-bromo-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865496
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114301) is 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid is O=C(O)c1ccsc1NC(=O)N(CCO)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is ZSDDEZUBPPQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-7-6-15(9-3-1-2-4-9)13(19)14-11-10(12(17)18)5-8-20-11/h5,8-9,16H,1-4,6-7H2,(H,14,19)(H,17,18).
What are the key properties of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).