1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea

C16H19FN2O2S — CID 55697257

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C16H19FN2O2S/c1-10(2)15(14-5-4-8-22-14)19-16(20)18-12-7-6-11(17)9-13(12)21-3/h4-10,15H,1-3H3,(H2,18,19,20)
InChIKeySJKYYRKDSJJVAJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.41
Rot. Bonds5

About 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea

1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea (PubChem CID 55697257) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
PubChem CID55697257
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C16H19FN2O2S/c1-10(2)15(14-5-4-8-22-14)19-16(20)18-12-7-6-11(17)9-13(12)21-3/h4-10,15H,1-3H3,(H2,18,19,20)
InChIKeySJKYYRKDSJJVAJ-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 55697289
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401
2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115284233
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 29023179
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
2-(2-methoxyphenoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46828508
2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62474332
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea (CID 55697257) is 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea is COc1cc(F)ccc1NC(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
The InChIKey is SJKYYRKDSJJVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-10(2)15(14-5-4-8-22-14)19-16(20)18-12-7-6-11(17)9-13(12)21-3/h4-10,15H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea has a molecular weight of 322.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 55697257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).