5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide

C14H14BrNOS — CID 42236342

IUPAC5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H14BrNOS/c1-9(2)10-4-3-5-11(8-10)16-14(17)12-6-7-13(15)18-12/h3-9H,1-2H3,(H,16,17)
InChIKeyHXTFQGPHBJIHJC-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.89
Rot. Bonds3

About 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide

5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 42236342) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
PubChem CID42236342
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H14BrNOS/c1-9(2)10-4-3-5-11(8-10)16-14(17)12-6-7-13(15)18-12/h3-9H,1-2H3,(H,16,17)
InChIKeyHXTFQGPHBJIHJC-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
CID 46568246
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
5-bromo-N-(2-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26290740
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
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4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
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(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
CID 142547817
5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 60732690
3-amino-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 61092976
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide (CID 42236342) is 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide is CC(C)c1cccc(NC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is HXTFQGPHBJIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-9(2)10-4-3-5-11(8-10)16-14(17)12-6-7-13(15)18-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 42236342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).