2-(4-bromothiophen-2-yl)-N-iodoacetamide

C6H5BrINOS — CID 170238076

IUPAC2-(4-bromothiophen-2-yl)-N-iodoacetamide
SMILESO=C(Cc1cc(Br)cs1)NI
InChIInChI=1S/C6H5BrINOS/c7-4-1-5(11-3-4)2-6(10)9-8/h1,3H,2H2,(H,9,10)
InChIKeyHPNPLPWJDZESQK-UHFFFAOYSA-N
MW345.99 g/mol
LogP2.52
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-N-iodoacetamide

2-(4-bromothiophen-2-yl)-N-iodoacetamide (PubChem CID 170238076) has the molecular formula C6H5BrINOS and a molecular weight of 345.99 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-iodoacetamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-iodoacetamide
PubChem CID170238076
Molecular FormulaC6H5BrINOS
Molecular Weight345.99 g/mol
Exact Mass344.83
IUPAC Name2-(4-bromothiophen-2-yl)-N-iodoacetamide
SMILESO=C(Cc1cc(Br)cs1)NI
InChIInChI=1S/C6H5BrINOS/c7-4-1-5(11-3-4)2-6(10)9-8/h1,3H,2H2,(H,9,10)
InChIKeyHPNPLPWJDZESQK-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.99
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid
CID 82307146
2-(4-bromothiophen-2-yl)-N-cyclopentylacetamide
CID 110769887
2-(4-bromothiophen-2-yl)-N-butylacetamide
CID 110769883
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
CID 116553807
2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969477
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
1-(4-bromothiophen-2-yl)pent-4-en-2-one
CID 116659507
methyl 4-[2-(4-bromothiophen-2-yl)acetyl]piperazine-1-carboxylate
CID 110803421
2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone
CID 131162528
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
1-(4-bromothiophen-2-yl)hexan-2-one
CID 79404796

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-iodoacetamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-iodoacetamide (CID 170238076) is 2-(4-bromothiophen-2-yl)-N-iodoacetamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-iodoacetamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-iodoacetamide is O=C(Cc1cc(Br)cs1)NI.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-iodoacetamide?
The InChIKey is HPNPLPWJDZESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrINOS/c7-4-1-5(11-3-4)2-6(10)9-8/h1,3H,2H2,(H,9,10).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-iodoacetamide?
2-(4-bromothiophen-2-yl)-N-iodoacetamide has a molecular weight of 345.99 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-iodoacetamide is sourced from PubChem (CID 170238076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).