1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea

C16H20FN3OS — CID 42954131

IUPAC1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCN(C)C(CNC(=O)NCc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C16H20FN3OS/c1-20(2)15(13-7-8-22-11-13)10-19-16(21)18-9-12-3-5-14(17)6-4-12/h3-8,11,15H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyOUKRPBGKDPQFEK-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea

1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 42954131) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID42954131
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCN(C)C(CNC(=O)NCc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C16H20FN3OS/c1-20(2)15(13-7-8-22-11-13)10-19-16(21)18-9-12-3-5-14(17)6-4-12/h3-8,11,15H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyOUKRPBGKDPQFEK-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea (CID 42954131) is 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea is CN(C)C(CNC(=O)NCc1ccc(F)cc1)c1ccsc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is OUKRPBGKDPQFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-20(2)15(13-7-8-22-11-13)10-19-16(21)18-9-12-3-5-14(17)6-4-12/h3-8,11,15H,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 321.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 42954131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).