1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

C16H19FN2O2S — CID 71810440

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(F)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19FN2O2S/c1-11-3-8-15(22-11)14(21-2)10-19-16(20)18-9-12-4-6-13(17)7-5-12/h3-8,14H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyYDICBTWRLUWMSS-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.38
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 71810440) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID71810440
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(F)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19FN2O2S/c1-11-3-8-15(22-11)14(21-2)10-19-16(20)18-9-12-4-6-13(17)7-5-12/h3-8,14H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyYDICBTWRLUWMSS-UHFFFAOYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 100730566
2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 97417429
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea
CID 100678158
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97417494
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (CID 71810440) is 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is COC(CNC(=O)NCc1ccc(F)cc1)c1ccc(C)s1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is YDICBTWRLUWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-11-3-8-15(22-11)14(21-2)10-19-16(20)18-9-12-4-6-13(17)7-5-12/h3-8,14H,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 322.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 71810440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).