N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide

C10H8BrNOS2 — CID 47183552

IUPACN-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1ccsc1
InChIInChI=1S/C10H8BrNOS2/c11-9-3-7(5-15-9)4-12-10(13)8-1-2-14-6-8/h1-3,5-6H,4H2,(H,12,13)
InChIKeyGEEHOZWWUMPNSG-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.50
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide

N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 47183552) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
PubChem CID47183552
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1ccsc1
InChIInChI=1S/C10H8BrNOS2/c11-9-3-7(5-15-9)4-12-10(13)8-1-2-14-6-8/h1-3,5-6H,4H2,(H,12,13)
InChIKeyGEEHOZWWUMPNSG-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
CID 47161409
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
CID 47329110
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide (CID 47183552) is N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide is O=C(NCc1csc(Br)c1)c1ccsc1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is GEEHOZWWUMPNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c11-9-3-7(5-15-9)4-12-10(13)8-1-2-14-6-8/h1-3,5-6H,4H2,(H,12,13).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 302.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47183552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).