4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C10H8BrNOS2 — CID 1245463

IUPAC4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(Br)cs1
InChIInChI=1S/C10H8BrNOS2/c11-7-4-9(15-6-7)10(13)12-5-8-2-1-3-14-8/h1-4,6H,5H2,(H,12,13)
InChIKeyZCWJDKUOWWFDQC-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.50
Rot. Bonds3

About 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 1245463) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID1245463
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC Name4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(Br)cs1
InChIInChI=1S/C10H8BrNOS2/c11-7-4-9(15-6-7)10(13)12-5-8-2-1-3-14-8/h1-4,6H,5H2,(H,12,13)
InChIKeyZCWJDKUOWWFDQC-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

3-[(5-bromothien-2-yl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3242944
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
5-methyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 1247750
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
5-ethyl-N-(2-thienylmethyl)-2-thiophenecarboxamide
CID 1245502
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
CID 2171062
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
3-(2-thienyl)-N-(2-thienylmethyl)acrylamide
CID 845127
5-bromo-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 4655359
N1,N4-di(2-thienylmethyl)but-2-enediamide
CID 5713872
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1246945

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 1245463) is 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cccs1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ZCWJDKUOWWFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c11-7-4-9(15-6-7)10(13)12-5-8-2-1-3-14-8/h1-4,6H,5H2,(H,12,13).
What are the key properties of 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
4-bromo-N-(thiophen-2-ylmethyl)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 4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 1245463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).