1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C16H20N2O3S — CID 110893691

IUPAC1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccc(C(O)CNC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C16H20N2O3S/c1-11-7-8-22-15(11)10-18-16(20)17-9-14(19)12-3-5-13(21-2)6-4-12/h3-8,14,19H,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyHPIDLXQNJWFOEC-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.60
Rot. Bonds6

About 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 110893691) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID110893691
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccc(C(O)CNC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C16H20N2O3S/c1-11-7-8-22-15(11)10-18-16(20)17-9-14(19)12-3-5-13(21-2)6-4-12/h3-8,14,19H,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyHPIDLXQNJWFOEC-UHFFFAOYSA-N
XLogP2.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111423659
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94177078
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421421
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 90496966
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75691217
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 110893691) is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is COc1ccc(C(O)CNC(=O)NCc2sccc2C)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is HPIDLXQNJWFOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-7-8-22-15(11)10-18-16(20)17-9-14(19)12-3-5-13(21-2)6-4-12/h3-8,14,19H,9-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 320.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 110893691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).