2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

C16H17N3O3S — CID 75476904

IUPAC2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C16H17N3O3S/c1-10-8-11(2)17-12(3)16(10)18-15(20)9-23-14-7-5-4-6-13(14)19(21)22/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyWJBTVZWTCIGQGV-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (PubChem CID 75476904) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
PubChem CID75476904
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C16H17N3O3S/c1-10-8-11(2)17-12(3)16(10)18-15(20)9-23-14-7-5-4-6-13(14)19(21)22/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyWJBTVZWTCIGQGV-UHFFFAOYSA-N
XLogP3.65
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)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-[2-(2,4-dimethyl-6-nitroanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335676
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
(E)-3-(2-nitrophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837444
1-(2-nitrophenyl)sulfanylpropan-2-one
CID 822986
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 2498766
N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7474559
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 7756005
2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 87024291
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 4780048
5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide
CID 78859558
N-(2,5-dimethylphenyl)-2-[methyl-[2-(2-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 9479640
N-(2-methyl-6-nitrophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7646147

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (CID 75476904) is 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is Cc1cc(C)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)n1.
What is the InChIKey of 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The InChIKey is WJBTVZWTCIGQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-8-11(2)17-12(3)16(10)18-15(20)9-23-14-7-5-4-6-13(14)19(21)22/h4-8H,9H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 75476904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).