1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea

C19H24N2O3S — CID 86897116

IUPAC1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea
SMILESCOc1ccc(OC(C)C)c(NC(=O)NCc2ccc(SC)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-13(2)24-18-10-7-15(23-3)11-17(18)21-19(22)20-12-14-5-8-16(25-4)9-6-14/h5-11,13H,12H2,1-4H3,(H2,20,21,22)
InChIKeyIHWCKZDSFSHPPJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.53
Rot. Bonds7

About 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea

1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea (PubChem CID 86897116) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea
PubChem CID86897116
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea
SMILESCOc1ccc(OC(C)C)c(NC(=O)NCc2ccc(SC)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-13(2)24-18-10-7-15(23-3)11-17(18)21-19(22)20-12-14-5-8-16(25-4)9-6-14/h5-11,13H,12H2,1-4H3,(H2,20,21,22)
InChIKeyIHWCKZDSFSHPPJ-UHFFFAOYSA-N
XLogP4.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide
CID 40817451
N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide
CID 56803361
1-(5-chloro-2-methylsulfanylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 60588866
1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea
CID 144581525
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594713
2-amino-N-(5-methoxy-2-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119318030
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide
CID 120591665
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 55792899
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
The IUPAC name of 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea (CID 86897116) is 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea.
What is the SMILES notation for 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
The canonical SMILES for 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea is COc1ccc(OC(C)C)c(NC(=O)NCc2ccc(SC)cc2)c1.
What is the InChIKey of 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
The InChIKey is IHWCKZDSFSHPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(2)24-18-10-7-15(23-3)11-17(18)21-19(22)20-12-14-5-8-16(25-4)9-6-14/h5-11,13H,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea has a molecular weight of 360.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea is sourced from PubChem (CID 86897116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).