1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea

C19H20N2O2S — CID 139810713

IUPAC1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1c(-c2cccs2)ccc2ccc(OC)cc12
InChIInChI=1S/C19H20N2O2S/c1-20-19(22)21-10-9-15-16(18-4-3-11-24-18)8-6-13-5-7-14(23-2)12-17(13)15/h3-8,11-12H,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyNICSMRUHKOFWQB-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.05
Rot. Bonds5

About 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea

1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea (PubChem CID 139810713) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea
PubChem CID139810713
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1c(-c2cccs2)ccc2ccc(OC)cc12
InChIInChI=1S/C19H20N2O2S/c1-20-19(22)21-10-9-15-16(18-4-3-11-24-18)8-6-13-5-7-14(23-2)12-17(13)15/h3-8,11-12H,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyNICSMRUHKOFWQB-UHFFFAOYSA-N
XLogP4.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10925379
1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10882307
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 121169901
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
CID 114077900
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
2-(4-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867657
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea (CID 139810713) is 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea is CNC(=O)NCCc1c(-c2cccs2)ccc2ccc(OC)cc12.
What is the InChIKey of 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea?
The InChIKey is NICSMRUHKOFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-20-19(22)21-10-9-15-16(18-4-3-11-24-18)8-6-13-5-7-14(23-2)12-17(13)15/h3-8,11-12H,9-10H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea?
1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea has a molecular weight of 340.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea is sourced from PubChem (CID 139810713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).