N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide

C15H17N3OS — CID 2964221

IUPACN-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCN(C)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C15H17N3OS/c1-18(2)13-8-6-12(7-9-13)17-14(19)11-20-15-5-3-4-10-16-15/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyKTYFLRUDODCKAS-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.88
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide

N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2964221) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID2964221
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCN(C)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C15H17N3OS/c1-18(2)13-8-6-12(7-9-13)17-14(19)11-20-15-5-3-4-10-16-15/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyKTYFLRUDODCKAS-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide
CID 4054386
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide (CID 2964221) is N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide is CN(C)c1ccc(NC(=O)CSc2ccccn2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is KTYFLRUDODCKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-18(2)13-8-6-12(7-9-13)17-14(19)11-20-15-5-3-4-10-16-15/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 287.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2964221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).