1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea

C17H22N2O3S — CID 71804806

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
SMILESCOc1ccc(CCNC(=O)NCC(OC)c2ccsc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-21-15-5-3-13(4-6-15)7-9-18-17(20)19-11-16(22-2)14-8-10-23-12-14/h3-6,8,10,12,16H,7,9,11H2,1-2H3,(H2,18,19,20)
InChIKeyVSYPBVXWDGPNHX-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.99
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea

1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea (PubChem CID 71804806) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
PubChem CID71804806
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
SMILESCOc1ccc(CCNC(=O)NCC(OC)c2ccsc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-21-15-5-3-13(4-6-15)7-9-18-17(20)19-11-16(22-2)14-8-10-23-12-14/h3-6,8,10,12,16H,7,9,11H2,1-2H3,(H2,18,19,20)
InChIKeyVSYPBVXWDGPNHX-UHFFFAOYSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583971
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 126852195
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
2-(2-methoxyphenoxy)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
CID 90583918
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea (CID 71804806) is 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea is COc1ccc(CCNC(=O)NCC(OC)c2ccsc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
The InChIKey is VSYPBVXWDGPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-21-15-5-3-13(4-6-15)7-9-18-17(20)19-11-16(22-2)14-8-10-23-12-14/h3-6,8,10,12,16H,7,9,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea has a molecular weight of 334.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 71804806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).