4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid

C15H21ClN2O3S — CID 122002220

IUPAC4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC(NC(=O)NC1CCC(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2O3S/c1-2-11(12-7-8-13(16)22-12)18-15(21)17-10-5-3-9(4-6-10)14(19)20/h7-11H,2-6H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRBKYXGDUSTZJCL-UHFFFAOYSA-N
MW344.86 g/mol
LogP3.80
Rot. Bonds5

About 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122002220) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122002220
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC(NC(=O)NC1CCC(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2O3S/c1-2-11(12-7-8-13(16)22-12)18-15(21)17-10-5-3-9(4-6-10)14(19)20/h7-11H,2-6H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRBKYXGDUSTZJCL-UHFFFAOYSA-N
XLogP3.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119785493
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033016
4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003330
4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122014713
4-[(1,1-difluoro-2-hydroxypentan-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024657
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006512
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122002220) is 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid is CCC(NC(=O)NC1CCC(C(=O)O)CC1)c1ccc(Cl)s1.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RBKYXGDUSTZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-11(12-7-8-13(16)22-12)18-15(21)17-10-5-3-9(4-6-10)14(19)20/h7-11H,2-6H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 344.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122002220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).