1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea

C16H18FN3O3S — CID 51927382

IUPAC1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESC[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-11(14-4-2-3-5-15(14)17)20-16(21)19-10-12-6-8-13(9-7-12)24(18,22)23/h2-9,11H,10H2,1H3,(H2,18,22,23)(H2,19,20,21)/t11-/m1/s1
InChIKeyDOPPDSCZTUNZJJ-LLVKDONJSA-N
MW351.40 g/mol
LogP2.03
Rot. Bonds5

About 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea

1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 51927382) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID51927382
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESC[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-11(14-4-2-3-5-15(14)17)20-16(21)19-10-12-6-8-13(9-7-12)24(18,22)23/h2-9,11H,10H2,1H3,(H2,18,22,23)(H2,19,20,21)/t11-/m1/s1
InChIKeyDOPPDSCZTUNZJJ-LLVKDONJSA-N
XLogP2.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 3655603
(2S)-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 939163
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea
CID 30271365
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1S)-1-(2-fluorophenyl)ethyl]urea
CID 30271369
1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113219964
methyl 3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoate
CID 4593690
methyl (2S)-4-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate
CID 2005630
methyl (2R,3R)-3-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate
CID 51432316
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 60638891
1-(1-phenylethyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 19649491

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea (CID 51927382) is 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea is C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1F.
What is the InChIKey of 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is DOPPDSCZTUNZJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-11(14-4-2-3-5-15(14)17)20-16(21)19-10-12-6-8-13(9-7-12)24(18,22)23/h2-9,11H,10H2,1H3,(H2,18,22,23)(H2,19,20,21)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 351.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 51927382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).