N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C14H13BrN2OS — CID 51530681

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc[nH]c1=S)c1ccccc1Br
InChIInChI=1S/C14H13BrN2OS/c1-9(10-5-2-3-7-12(10)15)17-13(18)11-6-4-8-16-14(11)19/h2-9H,1H3,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyABOLHYWXVPGPAG-VIFPVBQESA-N
MW337.24 g/mol
LogP4.00
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 51530681) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID51530681
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc[nH]c1=S)c1ccccc1Br
InChIInChI=1S/C14H13BrN2OS/c1-9(10-5-2-3-7-12(10)15)17-13(18)11-6-4-8-16-14(11)19/h2-9H,1H3,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyABOLHYWXVPGPAG-VIFPVBQESA-N
XLogP4.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-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

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134053802
N-[1-(4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057769
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37316927
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
N-[(2S)-4-phenylbutan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25475198
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 51530681) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc[nH]c1=S)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is ABOLHYWXVPGPAG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-9(10-5-2-3-7-12(10)15)17-13(18)11-6-4-8-16-14(11)19/h2-9H,1H3,(H,16,19)(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51530681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).