1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea

C14H16N2OS — CID 2476752

IUPAC1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCc1cccc(NC(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C14H16N2OS/c1-11-5-3-6-12(9-11)15-14(17)16(2)10-13-7-4-8-18-13/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyBMUCLSFBYGJBLP-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.72
Rot. Bonds3

About 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea

1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 2476752) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID2476752
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCc1cccc(NC(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C14H16N2OS/c1-11-5-3-6-12(9-11)15-14(17)16(2)10-13-7-4-8-18-13/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyBMUCLSFBYGJBLP-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea (CID 2476752) is 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea is Cc1cccc(NC(=O)N(C)Cc2cccs2)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is BMUCLSFBYGJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-5-3-6-12(9-11)15-14(17)16(2)10-13-7-4-8-18-13/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 260.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 2476752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).