N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide

C12H11BrN2O3S3 — CID 76852443

IUPACN-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(Br)c(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H11BrN2O3S3/c1-7(16)15-8-2-4-9(5-3-8)19-11-6-10(13)12(20-11)21(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyVOWKVLFYWUPHOG-UHFFFAOYSA-N
MW407.34 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide

N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide (PubChem CID 76852443) has the molecular formula C12H11BrN2O3S3 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide
PubChem CID76852443
Molecular FormulaC12H11BrN2O3S3
Molecular Weight407.34 g/mol
Exact Mass405.91
IUPAC NameN-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(Br)c(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H11BrN2O3S3/c1-7(16)15-8-2-4-9(5-3-8)19-11-6-10(13)12(20-11)21(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyVOWKVLFYWUPHOG-UHFFFAOYSA-N
XLogP3.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
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N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
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N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide (CID 76852443) is N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2cc(Br)c(S(N)(=O)=O)s2)cc1.
What is the InChIKey of N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide?
The InChIKey is VOWKVLFYWUPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S3/c1-7(16)15-8-2-4-9(5-3-8)19-11-6-10(13)12(20-11)21(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide?
N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide has a molecular weight of 407.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 76852443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).