1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea

C12H11BrN2O2S — CID 75510519

IUPAC1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
SMILESCOc1ccc(Br)cc1NC(=O)Nc1ccsc1
InChIInChI=1S/C12H11BrN2O2S/c1-17-11-3-2-8(13)6-10(11)15-12(16)14-9-4-5-18-7-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyZVGHOZJJLRNTQO-UHFFFAOYSA-N
MW327.20 g/mol
LogP4.16
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea

1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea (PubChem CID 75510519) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
PubChem CID75510519
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
SMILESCOc1ccc(Br)cc1NC(=O)Nc1ccsc1
InChIInChI=1S/C12H11BrN2O2S/c1-17-11-3-2-8(13)6-10(11)15-12(16)14-9-4-5-18-7-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyZVGHOZJJLRNTQO-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 54967415
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
CID 47317630
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 51354511
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
CID 143251250

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea (CID 75510519) is 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea is COc1ccc(Br)cc1NC(=O)Nc1ccsc1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea?
The InChIKey is ZVGHOZJJLRNTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-17-11-3-2-8(13)6-10(11)15-12(16)14-9-4-5-18-7-9/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea?
1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea has a molecular weight of 327.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea is sourced from PubChem (CID 75510519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).