N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

C17H18N2O3S — CID 2553207

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3S/c1-3-13-6-4-5-12(2)17(13)18-16(20)11-23-15-9-7-14(8-10-15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyHNQFXPYRHGKQGQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.20
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 2553207) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID2553207
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3S/c1-3-13-6-4-5-12(2)17(13)18-16(20)11-23-15-9-7-14(8-10-15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyHNQFXPYRHGKQGQ-UHFFFAOYSA-N
XLogP4.20
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide 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

N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 22780289
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132237
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22777048
N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108512016
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
N-(2,5-dimethylpyrrol-1-yl)-2-(4-nitrophenyl)sulfanylacetamide
CID 43822413
N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 47047335
2-[4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 99129990
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 2553207) is N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is CCc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is HNQFXPYRHGKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-13-6-4-5-12(2)17(13)18-16(20)11-23-15-9-7-14(8-10-15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 330.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 2553207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).