1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea

C14H16N2OS2 — CID 47031902

IUPAC1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCSc1cccc(NC(=O)NCc2sccc2C)c1
InChIInChI=1S/C14H16N2OS2/c1-10-6-7-19-13(10)9-15-14(17)16-11-4-3-5-12(8-11)18-2/h3-8H,9H2,1-2H3,(H2,15,16,17)
InChIKeyCGMQVZFWXHTQGA-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea

1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 47031902) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID47031902
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCSc1cccc(NC(=O)NCc2sccc2C)c1
InChIInChI=1S/C14H16N2OS2/c1-10-6-7-19-13(10)9-15-14(17)16-11-4-3-5-12(8-11)18-2/h3-8H,9H2,1-2H3,(H2,15,16,17)
InChIKeyCGMQVZFWXHTQGA-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031800
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087557
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 121137400
1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032336
1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
CID 108889171
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea (CID 47031902) is 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea is CSc1cccc(NC(=O)NCc2sccc2C)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is CGMQVZFWXHTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-6-7-19-13(10)9-15-14(17)16-11-4-3-5-12(8-11)18-2/h3-8H,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 292.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 47031902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).