3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide

C8H10BrNO2S — CID 83031856

IUPAC3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
SMILESC[C@@H](O)CNC(=O)c1sccc1Br
InChIInChI=1S/C8H10BrNO2S/c1-5(11)4-10-8(12)7-6(9)2-3-13-7/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyDCWRPIWWESGRGJ-RXMQYKEDSA-N
MW264.14 g/mol
LogP1.62
Rot. Bonds3

About 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide

3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide (PubChem CID 83031856) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
PubChem CID83031856
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
SMILESC[C@@H](O)CNC(=O)c1sccc1Br
InChIInChI=1S/C8H10BrNO2S/c1-5(11)4-10-8(12)7-6(9)2-3-13-7/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyDCWRPIWWESGRGJ-RXMQYKEDSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473902
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
CID 111426282
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
CID 115301004

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide (CID 83031856) is 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide is C[C@@H](O)CNC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide?
The InChIKey is DCWRPIWWESGRGJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-5(11)4-10-8(12)7-6(9)2-3-13-7/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1.
What are the key properties of 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide?
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide has a molecular weight of 264.14 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 83031856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).