1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea

C14H16N2O2S — CID 38159170

IUPAC1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCOc1ccccc1CNC(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O2S/c1-18-13-7-3-2-5-11(13)9-15-14(17)16-10-12-6-4-8-19-12/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyOCXCBJSUNYYCKP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.76
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 38159170) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID38159170
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCOc1ccccc1CNC(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O2S/c1-18-13-7-3-2-5-11(13)9-15-14(17)16-10-12-6-4-8-19-12/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyOCXCBJSUNYYCKP-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111215477
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 86909948
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111215544
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111217223
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 38159170) is 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea is COc1ccccc1CNC(=O)NCc1cccs1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is OCXCBJSUNYYCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-13-7-3-2-5-11(13)9-15-14(17)16-10-12-6-4-8-19-12/h2-8H,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 276.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 38159170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).