1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea

C17H21ClN2O2S — CID 60562675

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
SMILESCCOCc1ccccc1NC(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C17H21ClN2O2S/c1-3-20(11-14-9-10-16(18)23-14)17(21)19-15-8-6-5-7-13(15)12-22-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyQPTGAIRWKWPRBV-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.99
Rot. Bonds7

About 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea

1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea (PubChem CID 60562675) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
PubChem CID60562675
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
SMILESCCOCc1ccccc1NC(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C17H21ClN2O2S/c1-3-20(11-14-9-10-16(18)23-14)17(21)19-15-8-6-5-7-13(15)12-22-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyQPTGAIRWKWPRBV-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
3-(2-chloro-4-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 86862833
3-(5-bromo-2-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 60562828
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60752480
2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577691
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea
CID 56557090
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
CID 60553928
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754728
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea (CID 60562675) is 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea is CCOCc1ccccc1NC(=O)N(CC)Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea?
The InChIKey is QPTGAIRWKWPRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-3-20(11-14-9-10-16(18)23-14)17(21)19-15-8-6-5-7-13(15)12-22-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea?
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea has a molecular weight of 352.89 g/mol, XLogP of 4.99, 7 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]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea is sourced from PubChem (CID 60562675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).