N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C20H17BrN2O3S — CID 1341426

IUPACN-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Br
InChIInChI=1S/C20H17BrN2O3S/c1-2-26-17-10-5-13(12-16(17)21)19(24)22-14-6-8-15(9-7-14)23-20(25)18-4-3-11-27-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyXOBMTHPDNDWFSM-UHFFFAOYSA-N
MW445.34 g/mol
LogP5.41
Rot. Bonds6

About N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 1341426) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID1341426
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC NameN-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Br
InChIInChI=1S/C20H17BrN2O3S/c1-2-26-17-10-5-13(12-16(17)21)19(24)22-14-6-8-15(9-7-14)23-20(25)18-4-3-11-27-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyXOBMTHPDNDWFSM-UHFFFAOYSA-N
XLogP5.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.34
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
N-[4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 2279231
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
N-[4-[[(3-bromo-4-ethoxybenzoyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17073921
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
N-[2-chloro-5-[(2,5-diethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26682667
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
CID 17073799
N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60528117

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 1341426) is N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Br.
What is the InChIKey of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is XOBMTHPDNDWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-2-26-17-10-5-13(12-16(17)21)19(24)22-14-6-8-15(9-7-14)23-20(25)18-4-3-11-27-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 445.34 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1341426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).