2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H11Cl2NO3S — CID 103790685

IUPAC2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c12-8-4-6(9(13)18-8)10(15)14-7-3-1-2-5(7)11(16)17/h4-5,7H,1-3H2,(H,14,15)(H,16,17)
InChIKeyWLVHDTUNXHOERC-UHFFFAOYSA-N
MW308.19 g/mol
LogP3.04
Rot. Bonds3

About 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 103790685) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID103790685
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Name2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c12-8-4-6(9(13)18-8)10(15)14-7-3-1-2-5(7)11(16)17/h4-5,7H,1-3H2,(H,14,15)(H,16,17)
InChIKeyWLVHDTUNXHOERC-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
N-(2-bromocycloheptyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966231
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271
2,5-dichloro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119387750
N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 119476389
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 103790685) is 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WLVHDTUNXHOERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c12-8-4-6(9(13)18-8)10(15)14-7-3-1-2-5(7)11(16)17/h4-5,7H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 308.19 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103790685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).