1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea

C13H15ClN2O2S — CID 47125656

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)NCc1ccco1
InChIInChI=1S/C13H15ClN2O2S/c1-2-16(9-11-5-6-12(14)19-11)13(17)15-8-10-4-3-7-18-10/h3-7H,2,8-9H2,1H3,(H,15,17)
InChIKeyJSXSVPHIKZWYQX-UHFFFAOYSA-N
MW298.80 g/mol
LogP3.73
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea (PubChem CID 47125656) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
PubChem CID47125656
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)NCc1ccco1
InChIInChI=1S/C13H15ClN2O2S/c1-2-16(9-11-5-6-12(14)19-11)13(17)15-8-10-4-3-7-18-10/h3-7H,2,8-9H2,1H3,(H,15,17)
InChIKeyJSXSVPHIKZWYQX-UHFFFAOYSA-N
XLogP3.73
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
CID 47125820
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62554030
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 60580699
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55361191
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
CID 60562675
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62822299

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea (CID 47125656) is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea is CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccco1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea?
The InChIKey is JSXSVPHIKZWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-2-16(9-11-5-6-12(14)19-11)13(17)15-8-10-4-3-7-18-10/h3-7H,2,8-9H2,1H3,(H,15,17).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea?
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea has a molecular weight of 298.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 47125656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).