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

C17H21N3OS — CID 16530316

IUPACN-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C17H21N3OS/c1-3-20(4-2)15-10-8-14(9-11-15)19-16(21)13-22-17-7-5-6-12-18-17/h5-12H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyMTOCGAVQSUTOKU-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.66
Rot. Bonds7

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

N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 16530316) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID16530316
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C17H21N3OS/c1-3-20(4-2)15-10-8-14(9-11-15)19-16(21)13-22-17-7-5-6-12-18-17/h5-12H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyMTOCGAVQSUTOKU-UHFFFAOYSA-N
XLogP3.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.66
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-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
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-[4-(diethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 974993
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide (CID 16530316) is N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide is CCN(CC)c1ccc(NC(=O)CSc2ccccn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is MTOCGAVQSUTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-20(4-2)15-10-8-14(9-11-15)19-16(21)13-22-17-7-5-6-12-18-17/h5-12H,3-4,13H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 16530316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).