1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea

C18H24N2O5S — CID 119106134

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea
SMILESCOc1ccc(CNC(=O)NCC(OCCO)c2cccs2)cc1OC
InChIInChI=1S/C18H24N2O5S/c1-23-14-6-5-13(10-15(14)24-2)11-19-18(22)20-12-16(25-8-7-21)17-4-3-9-26-17/h3-6,9-10,16,21H,7-8,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyAPEDYQJJSRHCOM-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.31
Rot. Bonds10

About 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea (PubChem CID 119106134) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea
PubChem CID119106134
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea
SMILESCOc1ccc(CNC(=O)NCC(OCCO)c2cccs2)cc1OC
InChIInChI=1S/C18H24N2O5S/c1-23-14-6-5-13(10-15(14)24-2)11-19-18(22)20-12-16(25-8-7-21)17-4-3-9-26-17/h3-6,9-10,16,21H,7-8,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyAPEDYQJJSRHCOM-UHFFFAOYSA-N
XLogP2.31
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66167353
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623658
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 72717760
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-2-thiophen-2-ylethanamine;oxalic acid
CID 21434721
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]urea
CID 30606508
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methylpentyl)urea
CID 38221992

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea (CID 119106134) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea is COc1ccc(CNC(=O)NCC(OCCO)c2cccs2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea?
The InChIKey is APEDYQJJSRHCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-23-14-6-5-13(10-15(14)24-2)11-19-18(22)20-12-16(25-8-7-21)17-4-3-9-26-17/h3-6,9-10,16,21H,7-8,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea has a molecular weight of 380.47 g/mol, XLogP of 2.31, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 119106134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).