1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea

C14H21ClN2O2S — CID 121180382

IUPAC1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
SMILESCOC(CNC(=O)NC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O2S/c1-19-11(12-7-8-13(15)20-12)9-16-14(18)17-10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,16,17,18)
InChIKeyJPQLCGADCQRYLM-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.72
Rot. Bonds5

About 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea

1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea (PubChem CID 121180382) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
PubChem CID121180382
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
SMILESCOC(CNC(=O)NC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O2S/c1-19-11(12-7-8-13(15)20-12)9-16-14(18)17-10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,16,17,18)
InChIKeyJPQLCGADCQRYLM-UHFFFAOYSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea with MolForge

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Related Compounds

1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea
CID 100678158
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-9H-xanthene-9-carboxamide
CID 100728569
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
CID 121180122
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121180159
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea (CID 121180382) is 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea is COC(CNC(=O)NC1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea?
The InChIKey is JPQLCGADCQRYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-19-11(12-7-8-13(15)20-12)9-16-14(18)17-10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea?
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea has a molecular weight of 316.85 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea is sourced from PubChem (CID 121180382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).