2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide

C19H16N2O3S3 — CID 24514537

IUPAC2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SCc1ccsc1
InChIInChI=1S/C19H16N2O3S3/c22-19(13-26-16-7-5-15(6-8-16)21(23)24)20-17-3-1-2-4-18(17)27-12-14-9-10-25-11-14/h1-11H,12-13H2,(H,20,22)
InChIKeyBPWAXYKOLCGZRN-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.68
Rot. Bonds8

About 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide

2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 24514537) has the molecular formula C19H16N2O3S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID24514537
Molecular FormulaC19H16N2O3S3
Molecular Weight416.55 g/mol
Exact Mass416.03
IUPAC Name2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SCc1ccsc1
InChIInChI=1S/C19H16N2O3S3/c22-19(13-26-16-7-5-15(6-8-16)21(23)24)20-17-3-1-2-4-18(17)27-12-14-9-10-25-11-14/h1-11H,12-13H2,(H,20,22)
InChIKeyBPWAXYKOLCGZRN-UHFFFAOYSA-N
XLogP5.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 47047335
2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101089
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
CID 4173915
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 16960648
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 7514061
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 26771142

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide (CID 24514537) is 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SCc1ccsc1.
What is the InChIKey of 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is BPWAXYKOLCGZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S3/c22-19(13-26-16-7-5-15(6-8-16)21(23)24)20-17-3-1-2-4-18(17)27-12-14-9-10-25-11-14/h1-11H,12-13H2,(H,20,22).
What are the key properties of 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 416.55 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 24514537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).