1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea

C15H17ClN2O2S — CID 17181700

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-12(20-3)11(8-9)18-15(19)17-10(2)13-6-7-14(16)21-13/h4-8,10H,1-3H3,(H2,17,18,19)
InChIKeyHGSOLDDLZBCYCO-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.60
Rot. Bonds4

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 17181700) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID17181700
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-12(20-3)11(8-9)18-15(19)17-10(2)13-6-7-14(16)21-13/h4-8,10H,1-3H3,(H2,17,18,19)
InChIKeyHGSOLDDLZBCYCO-UHFFFAOYSA-N
XLogP4.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
1-(5-chlorothiophen-2-yl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43432665
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 61470581
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea
CID 45249374
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 29023179
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea (CID 17181700) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is HGSOLDDLZBCYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-4-5-12(20-3)11(8-9)18-15(19)17-10(2)13-6-7-14(16)21-13/h4-8,10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 324.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 17181700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).