N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide

C14H15BrN2OS2 — CID 43549040

IUPACN-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
SMILESCCCSc1ccc(N)c(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2OS2/c1-2-7-19-9-3-4-10(16)11(8-9)17-14(18)12-5-6-13(15)20-12/h3-6,8H,2,7,16H2,1H3,(H,17,18)
InChIKeyOBZGHEGGGXIJIH-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.85
Rot. Bonds5

About N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide

N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide (PubChem CID 43549040) has the molecular formula C14H15BrN2OS2 and a molecular weight of 371.33 g/mol. Its IUPAC name is N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
PubChem CID43549040
Molecular FormulaC14H15BrN2OS2
Molecular Weight371.33 g/mol
Exact Mass369.98
IUPAC NameN-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
SMILESCCCSc1ccc(N)c(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2OS2/c1-2-7-19-9-3-4-10(16)11(8-9)17-14(18)12-5-6-13(15)20-12/h3-6,8H,2,7,16H2,1H3,(H,17,18)
InChIKeyOBZGHEGGGXIJIH-UHFFFAOYSA-N
XLogP4.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-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-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
CID 43549022
N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
CID 62919603
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471
N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949182
1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
CID 43551185
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-5-bromothiophene-2-carboxamide
CID 43548159
N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107174821
N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide
CID 43549542
N-(2-amino-5-propylsulfanylphenyl)-1,4-dioxane-2-carboxamide
CID 62799710
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43550444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide (CID 43549040) is N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide is CCCSc1ccc(N)c(NC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide?
The InChIKey is OBZGHEGGGXIJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS2/c1-2-7-19-9-3-4-10(16)11(8-9)17-14(18)12-5-6-13(15)20-12/h3-6,8H,2,7,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide?
N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide has a molecular weight of 371.33 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 43549040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).