N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide

C10H8BrNOS2 — CID 78985953

IUPACN-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1sccc1Br)c1cccs1
InChIInChI=1S/C10H8BrNOS2/c11-7-3-5-15-9(7)6-12-10(13)8-2-1-4-14-8/h1-5H,6H2,(H,12,13)
InChIKeyBBANBIHEJMEWGU-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.50
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide

N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 78985953) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID78985953
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1sccc1Br)c1cccs1
InChIInChI=1S/C10H8BrNOS2/c11-7-3-5-15-9(7)6-12-10(13)8-2-1-4-14-8/h1-5H,6H2,(H,12,13)
InChIKeyBBANBIHEJMEWGU-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

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
N-benzylthiophene-2-carboxamide
CID 574227
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 78986080
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134
N-[(3-bromothiophen-2-yl)methyl]-1H-indazole-3-carboxamide
CID 78985883
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715
N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 78985843
N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 78985913
3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248872
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
CID 78986020

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide (CID 78985953) is N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide is O=C(NCc1sccc1Br)c1cccs1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is BBANBIHEJMEWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c11-7-3-5-15-9(7)6-12-10(13)8-2-1-4-14-8/h1-5H,6H2,(H,12,13).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-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-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 78985953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).