3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea

C17H22N2O3S — CID 111459238

IUPAC3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCC(c1cccs1)N(C)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C17H22N2O3S/c1-13(16-8-5-11-23-16)19(2)17(21)18-12-14-6-3-4-7-15(14)22-10-9-20/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,18,21)
InChIKeyGMCQRNOGTIFSBR-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.02
Rot. Bonds7

About 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea

3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea (PubChem CID 111459238) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
PubChem CID111459238
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCC(c1cccs1)N(C)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C17H22N2O3S/c1-13(16-8-5-11-23-16)19(2)17(21)18-12-14-6-3-4-7-15(14)22-10-9-20/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,18,21)
InChIKeyGMCQRNOGTIFSBR-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
CID 111459237
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 131703311
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 94124053
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
CID 111459234
3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 86916292
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 30886325

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea (CID 111459238) is 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea is CC(c1cccs1)N(C)C(=O)NCc1ccccc1OCCO.
What is the InChIKey of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The InChIKey is GMCQRNOGTIFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13(16-8-5-11-23-16)19(2)17(21)18-12-14-6-3-4-7-15(14)22-10-9-20/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea has a molecular weight of 334.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 111459238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).