2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C15H22N2O3S — CID 106005548

IUPAC2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CNC(=O)NC2CCCCC2C(=O)O)s1
InChIInChI=1S/C15H22N2O3S/c1-2-10-7-8-11(21-10)9-16-15(20)17-13-6-4-3-5-12(13)14(18)19/h7-8,12-13H,2-6,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJQSBMVSSWIDZBZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.75
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 106005548) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID106005548
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CNC(=O)NC2CCCCC2C(=O)O)s1
InChIInChI=1S/C15H22N2O3S/c1-2-10-7-8-11(21-10)9-16-15(20)17-13-6-4-3-5-12(13)14(18)19/h7-8,12-13H,2-6,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJQSBMVSSWIDZBZ-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817149
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106005432
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
6-[(5-ethylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103822739
2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106421097
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
2-[(2-bromophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817497
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504805
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 106005548) is 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is CCc1ccc(CNC(=O)NC2CCCCC2C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JQSBMVSSWIDZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-10-7-8-11(21-10)9-16-15(20)17-13-6-4-3-5-12(13)14(18)19/h7-8,12-13H,2-6,9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106005548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).