3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea

C19H26N2O3S — CID 87006598

IUPAC3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCOc1cc(C)c(C(C)NC(=O)N(C)C(C)c2cccs2)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-12-10-16(23-5)17(24-6)11-15(12)13(2)20-19(22)21(4)14(3)18-8-7-9-25-18/h7-11,13-14H,1-6H3,(H,20,22)
InChIKeyZGJFNHXHAXKSJZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.54
Rot. Bonds6

About 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea

3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea (PubChem CID 87006598) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
PubChem CID87006598
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCOc1cc(C)c(C(C)NC(=O)N(C)C(C)c2cccs2)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-12-10-16(23-5)17(24-6)11-15(12)13(2)20-19(22)21(4)14(3)18-8-7-9-25-18/h7-11,13-14H,1-6H3,(H,20,22)
InChIKeyZGJFNHXHAXKSJZ-UHFFFAOYSA-N
XLogP4.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 78976302
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
CID 62639758
(2S)-4-hydroxy-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005529
1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 53499388
3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 86916292
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea (CID 87006598) is 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea is COc1cc(C)c(C(C)NC(=O)N(C)C(C)c2cccs2)cc1OC.
What is the InChIKey of 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The InChIKey is ZGJFNHXHAXKSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-12-10-16(23-5)17(24-6)11-15(12)13(2)20-19(22)21(4)14(3)18-8-7-9-25-18/h7-11,13-14H,1-6H3,(H,20,22).
What are the key properties of 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea has a molecular weight of 362.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 87006598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).