1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C19H22N2OS — CID 60580789

IUPAC1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCSc1ccc(CNC(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2OS/c1-23-16-11-9-14(10-12-16)13-20-19(22)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H2,20,21,22)
InChIKeySYMQYGFYDJUVCL-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.29
Rot. Bonds4

About 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 60580789) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID60580789
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCSc1ccc(CNC(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2OS/c1-23-16-11-9-14(10-12-16)13-20-19(22)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H2,20,21,22)
InChIKeySYMQYGFYDJUVCL-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]benzamide
CID 134006297
2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 31548705
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451567
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
2-[(4-methoxyphenyl)methylcarbamoylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[3.3]heptane-6-carboxamide
CID 169317934
1-[2-(methanesulfonamido)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 134006236
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42954663
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-methylsulfanylbenzoate
CID 8507797
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325904
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 55472850

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 60580789) is 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CSc1ccc(CNC(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is SYMQYGFYDJUVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-23-16-11-9-14(10-12-16)13-20-19(22)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 326.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 60580789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).