1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

C17H18F2N2O4S — CID 87035526

IUPAC1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCOc1c(F)cc(NC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C17H18F2N2O4S/c1-10(11-4-6-13(7-5-11)26(3,23)24)20-17(22)21-12-8-14(18)16(25-2)15(19)9-12/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyRUNZKZNDPWHVRV-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.26
Rot. Bonds5

About 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 87035526) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID87035526
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCOc1c(F)cc(NC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C17H18F2N2O4S/c1-10(11-4-6-13(7-5-11)26(3,23)24)20-17(22)21-12-8-14(18)16(25-2)15(19)9-12/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyRUNZKZNDPWHVRV-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
1-(3-bromo-4-methylphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78874719
1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 87008929
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 42930014
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-(4-methoxy-2-nitrophenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 42936439
1-(2-cyano-4-fluorophenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78839341
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 72845288

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (CID 87035526) is 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is COc1c(F)cc(NC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is RUNZKZNDPWHVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-10(11-4-6-13(7-5-11)26(3,23)24)20-17(22)21-12-8-14(18)16(25-2)15(19)9-12/h4-10H,1-3H3,(H2,20,21,22).
What are the key properties of 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 384.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 87035526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).