1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea

C18H22N2O3S — CID 111619363

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
SMILESCOc1ccc(-c2csc(CNC(=O)N(CCO)C3CC3)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-23-16-6-2-13(3-7-16)14-10-17(24-12-14)11-19-18(22)20(8-9-21)15-4-5-15/h2-3,6-7,10,12,15,21H,4-5,8-9,11H2,1H3,(H,19,22)
InChIKeyCWUPRORTYNJPMH-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.09
Rot. Bonds7

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea (PubChem CID 111619363) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
PubChem CID111619363
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
SMILESCOc1ccc(-c2csc(CNC(=O)N(CCO)C3CC3)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-23-16-6-2-13(3-7-16)14-10-17(24-12-14)11-19-18(22)20(8-9-21)15-4-5-15/h2-3,6-7,10,12,15,21H,4-5,8-9,11H2,1H3,(H,19,22)
InChIKeyCWUPRORTYNJPMH-UHFFFAOYSA-N
XLogP3.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea with MolForge

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Related Compounds

(2R)-2-(hydroxymethyl)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111619348
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide
CID 119343356
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
CID 119343360
trans-(1S,2R)-1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-2-methylcyclopropane-1-carboxylic acid
CID 167801951
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71982590
(1R,2S,4R)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378297
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride
CID 119818238
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110922256
1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122004897
1-[3-(cyclopropylmethoxy)propyl]-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-methylguanidine
CID 111967851
3-[(3,5-dimethoxyphenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-hydroxyethyl)urea
CID 126439055
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea (CID 111619363) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea is COc1ccc(-c2csc(CNC(=O)N(CCO)C3CC3)c2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea?
The InChIKey is CWUPRORTYNJPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-16-6-2-13(3-7-16)14-10-17(24-12-14)11-19-18(22)20(8-9-21)15-4-5-15/h2-3,6-7,10,12,15,21H,4-5,8-9,11H2,1H3,(H,19,22).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea has a molecular weight of 346.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea is sourced from PubChem (CID 111619363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).