5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide

C13H11BrN2O2S — CID 47098883

IUPAC5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H11BrN2O2S/c14-11-6-5-10(19-11)13(18)16-7-8-1-3-9(4-2-8)12(15)17/h1-6H,7H2,(H2,15,17)(H,16,18)
InChIKeyGZNYLRLISIPHLB-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.54
Rot. Bonds4

About 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide

5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 47098883) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
PubChem CID47098883
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Name5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H11BrN2O2S/c14-11-6-5-10(19-11)13(18)16-7-8-1-3-9(4-2-8)12(15)17/h1-6H,7H2,(H2,15,17)(H,16,18)
InChIKeyGZNYLRLISIPHLB-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47311870
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481868
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 52670386
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364247
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 115271454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide (CID 47098883) is 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide is NC(=O)c1ccc(CNC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is GZNYLRLISIPHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c14-11-6-5-10(19-11)13(18)16-7-8-1-3-9(4-2-8)12(15)17/h1-6H,7H2,(H2,15,17)(H,16,18).
What are the key properties of 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47098883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).