1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C16H18F2N2O2S — CID 111456030

IUPAC1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCC(NC(=O)NCC(O)c1ccsc1)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O2S/c1-2-14(12-7-11(17)3-4-13(12)18)20-16(22)19-8-15(21)10-5-6-23-9-10/h3-7,9,14-15,21H,2,8H2,1H3,(H2,19,20,22)
InChIKeyYBDLLFOYXSEKSD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.51
Rot. Bonds6

About 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111456030) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111456030
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCC(NC(=O)NCC(O)c1ccsc1)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O2S/c1-2-14(12-7-11(17)3-4-13(12)18)20-16(22)19-8-15(21)10-5-6-23-9-10/h3-7,9,14-15,21H,2,8H2,1H3,(H2,19,20,22)
InChIKeyYBDLLFOYXSEKSD-UHFFFAOYSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552
1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506835
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 111444382
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 111441740
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111456030) is 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CCC(NC(=O)NCC(O)c1ccsc1)c1cc(F)ccc1F.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is YBDLLFOYXSEKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-2-14(12-7-11(17)3-4-13(12)18)20-16(22)19-8-15(21)10-5-6-23-9-10/h3-7,9,14-15,21H,2,8H2,1H3,(H2,19,20,22).
What are the key properties of 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 340.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111456030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).