1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

C16H26N2O2S — CID 111976910

IUPAC1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)NC(C)(C)CO
InChIInChI=1S/C16H26N2O2S/c1-11-9-12(21-15(2,3)4)7-8-13(11)17-14(20)18-16(5,6)10-19/h7-9,19H,10H2,1-6H3,(H2,17,18,20)
InChIKeySQWARTDGXXMYLQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 111976910) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID111976910
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)NC(C)(C)CO
InChIInChI=1S/C16H26N2O2S/c1-11-9-12(21-15(2,3)4)7-8-13(11)17-14(20)18-16(5,6)10-19/h7-9,19H,10H2,1-6H3,(H2,17,18,20)
InChIKeySQWARTDGXXMYLQ-UHFFFAOYSA-N
XLogP3.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431587
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
methyl 3-[(4-tert-butylsulfanyl-2-methylphenyl)carbamoylamino]-3-pyridin-4-ylbutanoate
CID 102562782
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
CID 119765612
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561921
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea
CID 86807550
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754817
N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
CID 170047939
(2S)-N-(4-tert-butylsulfanyl-2-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111116986
1-(4-tert-butylsulfanylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754830
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859220

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 111976910) is 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is Cc1cc(SC(C)(C)C)ccc1NC(=O)NC(C)(C)CO.
What is the InChIKey of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is SQWARTDGXXMYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-9-12(21-15(2,3)4)7-8-13(11)17-14(20)18-16(5,6)10-19/h7-9,19H,10H2,1-6H3,(H2,17,18,20).
What are the key properties of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 310.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 111976910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).