1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea

C19H24N2O3S — CID 60603578

IUPAC1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)Nc1ccccc1CS(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15(12-13-16-8-4-3-5-9-16)20-19(22)21-18-11-7-6-10-17(18)14-25(2,23)24/h3-11,15H,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyFWHVHKMZZRVOSM-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.37
Rot. Bonds7

About 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea

1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 60603578) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
PubChem CID60603578
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)Nc1ccccc1CS(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15(12-13-16-8-4-3-5-9-16)20-19(22)21-18-11-7-6-10-17(18)14-25(2,23)24/h3-11,15H,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyFWHVHKMZZRVOSM-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
1-(2-chloro-5-methylsulfonylphenyl)-3-(4-phenylbutan-2-yl)urea
CID 51115168
1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603619
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
1-[2-(methanesulfonamido)ethyl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 36507811
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea (CID 60603578) is 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea is CC(CCc1ccccc1)NC(=O)Nc1ccccc1CS(C)(=O)=O.
What is the InChIKey of 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is FWHVHKMZZRVOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(12-13-16-8-4-3-5-9-16)20-19(22)21-18-11-7-6-10-17(18)14-25(2,23)24/h3-11,15H,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea?
1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 360.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 60603578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).