1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

C15H18BrN3O3S2 — CID 30696855

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrN3O3S2/c16-14-6-3-12(23-14)8-10-19-15(20)18-9-7-11-1-4-13(5-2-11)24(17,21)22/h1-6H,7-10H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyFEACEEJTIFXHSA-UHFFFAOYSA-N
MW432.37 g/mol
LogP2.24
Rot. Bonds7

About 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 30696855) has the molecular formula C15H18BrN3O3S2 and a molecular weight of 432.37 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID30696855
Molecular FormulaC15H18BrN3O3S2
Molecular Weight432.37 g/mol
Exact Mass431.00
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrN3O3S2/c16-14-6-3-12(23-14)8-10-19-15(20)18-9-7-11-1-4-13(5-2-11)24(17,21)22/h1-6H,7-10H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyFEACEEJTIFXHSA-UHFFFAOYSA-N
XLogP2.24
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea with MolForge

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Related Compounds

1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 106037433
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
(2S)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 106040638
3-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106040443
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 29306500
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 30696855) is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(Br)s2)cc1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is FEACEEJTIFXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S2/c16-14-6-3-12(23-14)8-10-19-15(20)18-9-7-11-1-4-13(5-2-11)24(17,21)22/h1-6H,7-10H2,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 432.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 30696855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).