N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide

C15H16BrNOS — CID 113397928

IUPACN-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CCCBr)c2)s1
InChIInChI=1S/C15H16BrNOS/c1-11-7-8-14(19-11)15(18)17-13-6-2-4-12(10-13)5-3-9-16/h2,4,6-8,10H,3,5,9H2,1H3,(H,17,18)
InChIKeyQGKSJJJBICNHMH-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.64
Rot. Bonds5

About N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide

N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 113397928) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID113397928
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CCCBr)c2)s1
InChIInChI=1S/C15H16BrNOS/c1-11-7-8-14(19-11)15(18)17-13-6-2-4-12(10-13)5-3-9-16/h2,4,6-8,10H,3,5,9H2,1H3,(H,17,18)
InChIKeyQGKSJJJBICNHMH-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-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

N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
2,5-dibromo-N-[3-(3-bromopropyl)phenyl]thiophene-3-carboxamide
CID 107966238
N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406160
N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[3-(3-bromopropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 113397924
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
CID 107994161

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide (CID 113397928) is N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(CCCBr)c2)s1.
What is the InChIKey of N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is QGKSJJJBICNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-11-7-8-14(19-11)15(18)17-13-6-2-4-12(10-13)5-3-9-16/h2,4,6-8,10H,3,5,9H2,1H3,(H,17,18).
What are the key properties of N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide?
N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 113397928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).