1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea

C15H17BrN2O2S — CID 60616593

IUPAC1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCOCc1c(Br)cccc1NC(=O)NCCc1cccs1
InChIInChI=1S/C15H17BrN2O2S/c1-20-10-12-13(16)5-2-6-14(12)18-15(19)17-8-7-11-4-3-9-21-11/h2-6,9H,7-8,10H2,1H3,(H2,17,18,19)
InChIKeyUDSLQUJBTXKPNE-UHFFFAOYSA-N
MW369.28 g/mol
LogP4.02
Rot. Bonds6

About 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea

1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 60616593) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID60616593
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCOCc1c(Br)cccc1NC(=O)NCCc1cccs1
InChIInChI=1S/C15H17BrN2O2S/c1-20-10-12-13(16)5-2-6-14(12)18-15(19)17-8-7-11-4-3-9-21-11/h2-6,9H,7-8,10H2,1H3,(H2,17,18,19)
InChIKeyUDSLQUJBTXKPNE-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
1-[3-bromo-2-(methoxymethyl)phenyl]-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 99800218
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea (CID 60616593) is 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea is COCc1c(Br)cccc1NC(=O)NCCc1cccs1.
What is the InChIKey of 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is UDSLQUJBTXKPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-20-10-12-13(16)5-2-6-14(12)18-15(19)17-8-7-11-4-3-9-21-11/h2-6,9H,7-8,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 369.28 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 60616593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).