1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea

C18H22FN3O3S — CID 30271365

IUPAC1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1F
InChIInChI=1S/C18H22FN3O3S/c1-13(15-9-5-6-10-16(15)19)21-18(23)20-12-14-8-4-7-11-17(14)26(24,25)22(2)3/h4-11,13H,12H2,1-3H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyARVCQINCZZYXCF-CYBMUJFWSA-N
MW379.46 g/mol
LogP2.64
Rot. Bonds6

About 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea (PubChem CID 30271365) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea
PubChem CID30271365
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1F
InChIInChI=1S/C18H22FN3O3S/c1-13(15-9-5-6-10-16(15)19)21-18(23)20-12-14-8-4-7-11-17(14)26(24,25)22(2)3/h4-11,13H,12H2,1-3H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyARVCQINCZZYXCF-CYBMUJFWSA-N
XLogP2.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1S)-1-(2-fluorophenyl)ethyl]urea
CID 30271369
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41406588
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
1-[(2,3-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)ethyl]urea
CID 47065818
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 51927382
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913
1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113219964
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41216105

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea (CID 30271365) is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea is C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1F.
What is the InChIKey of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea?
The InChIKey is ARVCQINCZZYXCF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-13(15-9-5-6-10-16(15)19)21-18(23)20-12-14-8-4-7-11-17(14)26(24,25)22(2)3/h4-11,13H,12H2,1-3H3,(H2,20,21,23)/t13-/m1/s1.
What are the key properties of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea?
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea has a molecular weight of 379.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 30271365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).