5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide

C14H14BrNO2S — CID 110889607

IUPAC5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide
SMILESCC(O)CNC(=O)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C14H14BrNO2S/c1-9(17)8-16-14(18)13-7-6-12(19-13)10-2-4-11(15)5-3-10/h2-7,9,17H,8H2,1H3,(H,16,18)
InChIKeyOZGGUFGANYHLIQ-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.29
Rot. Bonds4

About 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide

5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 110889607) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide
PubChem CID110889607
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide
SMILESCC(O)CNC(=O)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C14H14BrNO2S/c1-9(17)8-16-14(18)13-7-6-12(19-13)10-2-4-11(15)5-3-10/h2-7,9,17H,8H2,1H3,(H,16,18)
InChIKeyOZGGUFGANYHLIQ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride
CID 119627329
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 38404678
5-(4-bromophenyl)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
CID 56576336
5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 46441580
3-[5-(4-bromophenyl)thiophen-2-yl]-2-cyano-N-(2-methoxyethyl)-3-oxopropanamide
CID 112839566
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 38633334
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide (CID 110889607) is 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide is CC(O)CNC(=O)c1ccc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is OZGGUFGANYHLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9(17)8-16-14(18)13-7-6-12(19-13)10-2-4-11(15)5-3-10/h2-7,9,17H,8H2,1H3,(H,16,18).
What are the key properties of 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide?
5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 110889607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).