3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide

C14H14BrNOS — CID 47220275

IUPAC3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1sccc1Br)c1ccccc1
InChIInChI=1S/C14H14BrNOS/c1-10(11-5-3-2-4-6-11)9-16-14(17)13-12(15)7-8-18-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyQHHWDIMIVKKGOQ-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.04
Rot. Bonds4

About 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide

3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide (PubChem CID 47220275) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
PubChem CID47220275
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1sccc1Br)c1ccccc1
InChIInChI=1S/C14H14BrNOS/c1-10(11-5-3-2-4-6-11)9-16-14(17)13-12(15)7-8-18-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyQHHWDIMIVKKGOQ-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001
N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
CID 80506518
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473902
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
3-bromo-N-(2-phenylsulfanylethyl)thiophene-2-carboxamide
CID 47219653
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
CID 55757567
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide (CID 47220275) is 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide is CC(CNC(=O)c1sccc1Br)c1ccccc1.
What is the InChIKey of 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is QHHWDIMIVKKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10(11-5-3-2-4-6-11)9-16-14(17)13-12(15)7-8-18-13/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide?
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 47220275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).