2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid

C14H19ClN2O3S — CID 64701883

IUPAC2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-11-5-4-10(21-11)9-16-13(20)17-14(8-12(18)19)6-2-1-3-7-14/h4-5H,1-3,6-9H2,(H,18,19)(H2,16,17,20)
InChIKeyQSLQLCHPYOSZRY-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.38
Rot. Bonds5

About 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid

2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid (PubChem CID 64701883) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
PubChem CID64701883
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-11-5-4-10(21-11)9-16-13(20)17-14(8-12(18)19)6-2-1-3-7-14/h4-5H,1-3,6-9H2,(H,18,19)(H2,16,17,20)
InChIKeyQSLQLCHPYOSZRY-UHFFFAOYSA-N
XLogP3.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
2-[1-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79852022
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032552
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64700291
2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701035
2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106374503
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 106382873
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid (CID 64701883) is 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)NCc2ccc(Cl)s2)CCCCC1.
What is the InChIKey of 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
The InChIKey is QSLQLCHPYOSZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-11-5-4-10(21-11)9-16-13(20)17-14(8-12(18)19)6-2-1-3-7-14/h4-5H,1-3,6-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid has a molecular weight of 330.84 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).