5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide

C8H7Br2NOS — CID 115594394

IUPAC5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide
SMILESC=C(Br)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H7Br2NOS/c1-5(9)3-11-8(12)6-2-7(10)13-4-6/h2,4H,1,3H2,(H,11,12)
InChIKeyNPOKNNAZTBLJMQ-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.15
Rot. Bonds3

About 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide

5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide (PubChem CID 115594394) has the molecular formula C8H7Br2NOS and a molecular weight of 325.03 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide
PubChem CID115594394
Molecular FormulaC8H7Br2NOS
Molecular Weight325.03 g/mol
Exact Mass322.86
IUPAC Name5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide
SMILESC=C(Br)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H7Br2NOS/c1-5(9)3-11-8(12)6-2-7(10)13-4-6/h2,4H,1,3H2,(H,11,12)
InChIKeyNPOKNNAZTBLJMQ-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-5-methylthiophene-3-carboxamide
CID 130610492
N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
CID 107965115
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 43424485
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
5-bromo-N-(6-chlorohexyl)thiophene-3-carboxamide
CID 107966467
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide (CID 115594394) is 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide is C=C(Br)CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide?
The InChIKey is NPOKNNAZTBLJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NOS/c1-5(9)3-11-8(12)6-2-7(10)13-4-6/h2,4H,1,3H2,(H,11,12).
What are the key properties of 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide?
5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide has a molecular weight of 325.03 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide is sourced from PubChem (CID 115594394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).