1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea

C16H17ClF2N2O2S — CID 56557090

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)cccc1OC(F)F
InChIInChI=1S/C16H17ClF2N2O2S/c1-3-21(9-11-7-8-13(17)24-11)16(22)20-14-10(2)5-4-6-12(14)23-15(18)19/h4-8,15H,3,9H2,1-2H3,(H,20,22)
InChIKeyZQSOKXIXKKAYFU-UHFFFAOYSA-N
MW374.84 g/mol
LogP5.37
Rot. Bonds6

About 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea

1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea (PubChem CID 56557090) has the molecular formula C16H17ClF2N2O2S and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea
PubChem CID56557090
Molecular FormulaC16H17ClF2N2O2S
Molecular Weight374.84 g/mol
Exact Mass374.07
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)cccc1OC(F)F
InChIInChI=1S/C16H17ClF2N2O2S/c1-3-21(9-11-7-8-13(17)24-11)16(22)20-14-10(2)5-4-6-12(14)23-15(18)19/h4-8,15H,3,9H2,1-2H3,(H,20,22)
InChIKeyZQSOKXIXKKAYFU-UHFFFAOYSA-N
XLogP5.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.84
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea with MolForge

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Related Compounds

3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790691
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
CID 60553928
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
CID 60562675
1-[(2-bromophenyl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-methylurea
CID 56586797
3-(2-chloro-4-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 86862833
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-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea (CID 56557090) is 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea is CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)cccc1OC(F)F.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea?
The InChIKey is ZQSOKXIXKKAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2O2S/c1-3-21(9-11-7-8-13(17)24-11)16(22)20-14-10(2)5-4-6-12(14)23-15(18)19/h4-8,15H,3,9H2,1-2H3,(H,20,22).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea?
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea has a molecular weight of 374.84 g/mol, XLogP of 5.37, 6 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-(difluoromethoxy)-6-methylphenyl]-1-ethylurea is sourced from PubChem (CID 56557090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).