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

C15H18N2OS — CID 33421608

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
SMILESCc1ccsc1CNC(=O)NCCc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-12-8-10-19-14(12)11-17-15(18)16-9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11H2,1H3,(H2,16,17,18)
InChIKeyVYPHCRICMKWAMG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds5

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

1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea (PubChem CID 33421608) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
PubChem CID33421608
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
SMILESCc1ccsc1CNC(=O)NCCc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-12-8-10-19-14(12)11-17-15(18)16-9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11H2,1H3,(H2,16,17,18)
InChIKeyVYPHCRICMKWAMG-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421421
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
4-[2-(3-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 122008876
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 120872602
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
(2R)-3,3-dimethyl-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 113353255
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
N-benzyl-2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111892353
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 23824532
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111230589
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea (CID 33421608) is 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea is Cc1ccsc1CNC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea?
The InChIKey is VYPHCRICMKWAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12-8-10-19-14(12)11-17-15(18)16-9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea?
1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea has a molecular weight of 274.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 33421608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).