1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea

C11H16N2O4S — CID 51080334

IUPAC1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea
SMILESCC(CO)NC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-8(7-14)12-11(15)13-9-5-3-4-6-10(9)18(2,16)17/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15)
InChIKeyTZEFPXFQXKWSPS-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.59
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea

1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea (PubChem CID 51080334) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea
PubChem CID51080334
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea
SMILESCC(CO)NC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-8(7-14)12-11(15)13-9-5-3-4-6-10(9)18(2,16)17/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15)
InChIKeyTZEFPXFQXKWSPS-UHFFFAOYSA-N
XLogP0.59
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
1-[2-(difluoromethylsulfanyl)phenyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 94818398
2-(aminomethyl)-3-methyl-N-(2-methylsulfonylphenyl)butanamide
CID 65225020
1-propan-2-yl-3-(2-sulfamoylphenyl)urea
CID 61131721
1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea
CID 94652921
1-(2-methylsulfonylphenyl)-3-pentylurea
CID 47033227
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea (CID 51080334) is 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea is CC(CO)NC(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea?
The InChIKey is TZEFPXFQXKWSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(7-14)12-11(15)13-9-5-3-4-6-10(9)18(2,16)17/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea?
1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea has a molecular weight of 272.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea is sourced from PubChem (CID 51080334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).