N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide

C13H10BrNO2S — CID 856376

IUPACN-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h1-7H,8H2,(H,15,17)
InChIKeyCTMPVZRVDXIPCK-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 856376) has the molecular formula C13H10BrNO2S and a molecular weight of 324.20 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID856376
Molecular FormulaC13H10BrNO2S
Molecular Weight324.20 g/mol
Exact Mass322.96
IUPAC NameN-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h1-7H,8H2,(H,15,17)
InChIKeyCTMPVZRVDXIPCK-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 13105423
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248872
N-[3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 31515825
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide
CID 166453822
2-[(1S)-3-(4-bromophenyl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile
CID 25273811

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide (CID 856376) is N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CTMPVZRVDXIPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h1-7H,8H2,(H,15,17).
What are the key properties of N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 324.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 856376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).