N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide

C16H16N2OS — CID 82766055

IUPACN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C#CCN)c(NC(=O)c2sccc2C)c1
InChIInChI=1S/C16H16N2OS/c1-11-5-6-13(4-3-8-17)14(10-11)18-16(19)15-12(2)7-9-20-15/h5-7,9-10H,8,17H2,1-2H3,(H,18,19)
InChIKeyBCGTWVSMCCDNBT-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.93
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide

N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 82766055) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID82766055
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C#CCN)c(NC(=O)c2sccc2C)c1
InChIInChI=1S/C16H16N2OS/c1-11-5-6-13(4-3-8-17)14(10-11)18-16(19)15-12(2)7-9-20-15/h5-7,9-10H,8,17H2,1-2H3,(H,18,19)
InChIKeyBCGTWVSMCCDNBT-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-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-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide
CID 81279963
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 82767055
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 82766354
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 82750935
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dibromothiophene-3-carboxamide
CID 107964056
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404208
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-1,2-oxazole-3-carboxamide
CID 82766056
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3-methylthiophene-2-carboxamide
CID 60803351
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 82750300
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
CID 104786328
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-1-ethylcyclopentane-1-carboxamide
CID 82750507
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 54922723

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide (CID 82766055) is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide is Cc1ccc(C#CCN)c(NC(=O)c2sccc2C)c1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is BCGTWVSMCCDNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-5-6-13(4-3-8-17)14(10-11)18-16(19)15-12(2)7-9-20-15/h5-7,9-10H,8,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 82766055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).