1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

C18H24N2O5S — CID 90598658

IUPAC1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCC(OC)c2ccc(C)s2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O5S/c1-11-6-7-16(26-11)15(24-4)10-19-18(21)20-12-8-13(22-2)17(25-5)14(9-12)23-3/h6-9,15H,10H2,1-5H3,(H2,19,20,21)
InChIKeyCFVXZCHXZCXHHN-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.59
Rot. Bonds8

About 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 90598658) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID90598658
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCC(OC)c2ccc(C)s2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O5S/c1-11-6-7-16(26-11)15(24-4)10-19-18(21)20-12-8-13(22-2)17(25-5)14(9-12)23-3/h6-9,15H,10H2,1-5H3,(H2,19,20,21)
InChIKeyCFVXZCHXZCXHHN-UHFFFAOYSA-N
XLogP3.59
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 97417485
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 97417576
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 90598658) is 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCC(OC)c2ccc(C)s2)cc(OC)c1OC.
What is the InChIKey of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is CFVXZCHXZCXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-11-6-7-16(26-11)15(24-4)10-19-18(21)20-12-8-13(22-2)17(25-5)14(9-12)23-3/h6-9,15H,10H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 380.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 90598658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).