1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea

C19H24N2O2S — CID 111926146

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea
SMILESCc1cc(Sc2ccccc2)ccc1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C19H24N2O2S/c1-14-12-16(24-15-8-6-5-7-9-15)10-11-17(14)20-18(22)21(4)13-19(2,3)23/h5-12,23H,13H2,1-4H3,(H,20,22)
InChIKeyGTWJYMUJCLCMDK-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.38
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea (PubChem CID 111926146) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea
PubChem CID111926146
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea
SMILESCc1cc(Sc2ccccc2)ccc1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C19H24N2O2S/c1-14-12-16(24-15-8-6-5-7-9-15)10-11-17(14)20-18(22)21(4)13-19(2,3)23/h5-12,23H,13H2,1-4H3,(H,20,22)
InChIKeyGTWJYMUJCLCMDK-UHFFFAOYSA-N
XLogP4.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(2-methyl-4-phenylsulfanylanilino)-4-oxobutanoic acid
CID 119133707
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431587
4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
CID 120590312
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859220
3-methyl-N-(2-methyl-4-phenylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 86877138
1-[2-(2-fluorophenoxy)ethyl]-1-methyl-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554358
2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
CID 115412313
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754817
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 79291613

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea (CID 111926146) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea is Cc1cc(Sc2ccccc2)ccc1NC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea?
The InChIKey is GTWJYMUJCLCMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-12-16(24-15-8-6-5-7-9-15)10-11-17(14)20-18(22)21(4)13-19(2,3)23/h5-12,23H,13H2,1-4H3,(H,20,22).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea has a molecular weight of 344.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea is sourced from PubChem (CID 111926146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).