3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea

C18H17ClN2O2S — CID 90583396

IUPAC3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C18H17ClN2O2S/c19-15-3-1-4-16(11-15)20-18(22)21(12-14-7-9-23-13-14)8-6-17-5-2-10-24-17/h1-5,7,9-11,13H,6,8,12H2,(H,20,22)
InChIKeyQTTZFUQRHUOUBZ-UHFFFAOYSA-N
MW360.87 g/mol
LogP5.27
Rot. Bonds6

About 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea

3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (PubChem CID 90583396) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
PubChem CID90583396
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C18H17ClN2O2S/c19-15-3-1-4-16(11-15)20-18(22)21(12-14-7-9-23-13-14)8-6-17-5-2-10-24-17/h1-5,7,9-11,13H,6,8,12H2,(H,20,22)
InChIKeyQTTZFUQRHUOUBZ-UHFFFAOYSA-N
XLogP5.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582843
3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 71804140
1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea
CID 141110706
2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 71804179
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea
CID 17013664
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
CID 71804034
N-(furan-3-ylmethyl)-2-phenoxy-N-(2-thiophen-2-ylethyl)propanamide
CID 71804174
1-(pyridin-3-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121085047

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (CID 90583396) is 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is O=C(Nc1cccc(Cl)c1)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is QTTZFUQRHUOUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c19-15-3-1-4-16(11-15)20-18(22)21(12-14-7-9-23-13-14)8-6-17-5-2-10-24-17/h1-5,7,9-11,13H,6,8,12H2,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 360.87 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 90583396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).