N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

C16H16N2O4S — CID 47047335

IUPACN-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4S/c1-22-10-12-4-2-3-5-15(12)17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyTVYMNMWAOAHNOT-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 47047335) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID47047335
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4S/c1-22-10-12-4-2-3-5-15(12)17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyTVYMNMWAOAHNOT-UHFFFAOYSA-N
XLogP3.47
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.47
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'}

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Related Compounds

methyl 2-[[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23096039
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101089
2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 24514537
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2553207
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46458024
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
3-methoxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoic acid
CID 81084829
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (CID 47047335) is N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is COCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is TVYMNMWAOAHNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-10-12-4-2-3-5-15(12)17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 332.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 47047335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).