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

C13H14N2OS — CID 27868226

IUPAC1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N2OS/c1-15(10-12-8-5-9-17-12)13(16)14-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeyPPJBRJKEVPOGBA-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.41
Rot. Bonds3

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

1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 27868226) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
PubChem CID27868226
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N2OS/c1-15(10-12-8-5-9-17-12)13(16)14-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeyPPJBRJKEVPOGBA-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
2-anilino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2533639
3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55697476
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339
3-methyl-3-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64699675
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55819422
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55743890
1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea
CID 55698725
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea (CID 27868226) is 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea is CN(Cc1cccs1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is PPJBRJKEVPOGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-15(10-12-8-5-9-17-12)13(16)14-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 246.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 27868226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).