3-bromo-N-propylthiophene-2-carboxamide

C8H10BrNOS — CID 58831720

IUPAC3-bromo-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sccc1Br
InChIInChI=1S/C8H10BrNOS/c1-2-4-10-8(11)7-6(9)3-5-12-7/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyRVAMEMQMIYPLGW-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.65
Rot. Bonds3

About 3-bromo-N-propylthiophene-2-carboxamide

3-bromo-N-propylthiophene-2-carboxamide (PubChem CID 58831720) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 3-bromo-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-propylthiophene-2-carboxamide
PubChem CID58831720
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name3-bromo-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sccc1Br
InChIInChI=1S/C8H10BrNOS/c1-2-4-10-8(11)7-6(9)3-5-12-7/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyRVAMEMQMIYPLGW-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide
CID 47343371
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63801472
3-bromo-N-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide
CID 4985303
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide
CID 106129487
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 79039212
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-propylthiophene-2-carboxamide (CID 58831720) is 3-bromo-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-propylthiophene-2-carboxamide?
The InChIKey is RVAMEMQMIYPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-2-4-10-8(11)7-6(9)3-5-12-7/h3,5H,2,4H2,1H3,(H,10,11).
What are the key properties of 3-bromo-N-propylthiophene-2-carboxamide?
3-bromo-N-propylthiophene-2-carboxamide has a molecular weight of 248.14 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 58831720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).