5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide

C15H17BrN2OS — CID 27229207

IUPAC5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-3-18(4-2)12-7-5-11(6-8-12)17-15(19)13-9-10-14(16)20-13/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyJGEXFSGRFQHPBV-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.61
Rot. Bonds5

About 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide

5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide (PubChem CID 27229207) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
PubChem CID27229207
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-3-18(4-2)12-7-5-11(6-8-12)17-15(19)13-9-10-14(16)20-13/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyJGEXFSGRFQHPBV-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 61222679
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
CID 46568246
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
CID 18293102
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide
CID 60564330
5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
CID 2313809
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide (CID 27229207) is 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is JGEXFSGRFQHPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-3-18(4-2)12-7-5-11(6-8-12)17-15(19)13-9-10-14(16)20-13/h5-10H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 353.29 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27229207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).