N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide

C16H17N3OS2 — CID 683887

IUPACN-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C16H17N3OS2/c1-16(2,3)19-14(20)10-22-15-11(9-17)6-7-12(18-15)13-5-4-8-21-13/h4-8H,10H2,1-3H3,(H,19,20)
InChIKeyAQLNHJZOMGGWSI-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.69
Rot. Bonds4

About N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide

N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 683887) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
PubChem CID683887
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC NameN-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(-c2cccs2)ccc1C#N
InChIInChI=1S/C16H17N3OS2/c1-16(2,3)19-14(20)10-22-15-11(9-17)6-7-12(18-15)13-5-4-8-21-13/h4-8H,10H2,1-3H3,(H,19,20)
InChIKeyAQLNHJZOMGGWSI-UHFFFAOYSA-N
XLogP3.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide 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-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
N-(4-CL-PH)-2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)acetamide
CID 1115824
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
Ethenyl 2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate
CID 657949
2-{[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
CID 657953
Ethyl 2-(3-cyano-6-(2-thienyl)-2-pyridylthio)propanoate
CID 657985
Methyl 2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate
CID 658101
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
CID 660521
2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile
CID 662192

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (CID 683887) is N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nc(-c2cccs2)ccc1C#N.
What is the InChIKey of N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is AQLNHJZOMGGWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-16(2,3)19-14(20)10-22-15-11(9-17)6-7-12(18-15)13-5-4-8-21-13/h4-8H,10H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 331.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 683887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).