5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

C20H17BrN2O2S — CID 38496186

IUPAC5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-22-19(24)15-4-2-13(3-5-15)12-23-20(25)18-11-10-17(26-18)14-6-8-16(21)9-7-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLIKSOUKGVPJPMA-UHFFFAOYSA-N
MW429.34 g/mol
LogP4.47
Rot. Bonds5

About 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 38496186) has the molecular formula C20H17BrN2O2S and a molecular weight of 429.34 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID38496186
Molecular FormulaC20H17BrN2O2S
Molecular Weight429.34 g/mol
Exact Mass428.02
IUPAC Name5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-22-19(24)15-4-2-13(3-5-15)12-23-20(25)18-11-10-17(26-18)14-6-8-16(21)9-7-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLIKSOUKGVPJPMA-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
4,5-dibromo-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 112725586
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride
CID 119627329
5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide
CID 110889607
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 38404678
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 38496186) is 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is CNC(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LIKSOUKGVPJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2S/c1-22-19(24)15-4-2-13(3-5-15)12-23-20(25)18-11-10-17(26-18)14-6-8-16(21)9-7-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 429.34 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 38496186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).