1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea

C19H24N2O3S — CID 141051809

IUPAC1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)16-9-11-17(12-10-16)25(23,24)21-18(22)20-14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyGCJOQRIWFYZHFT-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea

1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea (PubChem CID 141051809) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
PubChem CID141051809
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)16-9-11-17(12-10-16)25(23,24)21-18(22)20-14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyGCJOQRIWFYZHFT-UHFFFAOYSA-N
XLogP3.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051820
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 59768002
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea
CID 54774362
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
3-(4-tert-butylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944903
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea (CID 141051809) is 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea is CC(C)(C)c1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea?
The InChIKey is GCJOQRIWFYZHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)16-9-11-17(12-10-16)25(23,24)21-18(22)20-14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea?
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea has a molecular weight of 360.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 141051809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).