1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea

C21H22N2O2S — CID 42954660

IUPAC1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
SMILESCOCc1ccccc1CNC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-25-15-18-11-6-5-10-17(18)14-22-21(24)23-20(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3,(H2,22,23,24)
InChIKeyHBKNFWWYFOXIJY-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.48
Rot. Bonds7

About 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea

1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea (PubChem CID 42954660) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
PubChem CID42954660
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
SMILESCOCc1ccccc1CNC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-25-15-18-11-6-5-10-17(18)14-22-21(24)23-20(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3,(H2,22,23,24)
InChIKeyHBKNFWWYFOXIJY-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea
CID 51728503
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 35629147
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682654
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea (CID 42954660) is 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea is COCc1ccccc1CNC(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea?
The InChIKey is HBKNFWWYFOXIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-25-15-18-11-6-5-10-17(18)14-22-21(24)23-20(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea?
1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea has a molecular weight of 366.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea is sourced from PubChem (CID 42954660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).