N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide

C10H12N2O4S — CID 18129571

IUPACN-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide
SMILESCON(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4S/c1-11(16-2)10(13)7-4-5-9(17-3)8(6-7)12(14)15/h4-6H,1-3H3
InChIKeyKQZVUKDKPLYTSI-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.95
Rot. Bonds4

About N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide

N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide (PubChem CID 18129571) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide
PubChem CID18129571
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC NameN-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide
SMILESCON(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4S/c1-11(16-2)10(13)7-4-5-9(17-3)8(6-7)12(14)15/h4-6H,1-3H3
InChIKeyKQZVUKDKPLYTSI-UHFFFAOYSA-N
XLogP1.95
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
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

2-[methyl-(4-methylsulfanyl-3-nitrobenzoyl)amino]acetic acid
CID 43239789
N,N-bis(2-hydroxyethyl)-4-methylsulfanyl-3-nitrobenzamide
CID 60655312
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanyl-3-nitrobenzamide
CID 27795562
propan-2-yl 4-methylsulfanyl-3-nitrobenzoate
CID 78907956
N-[2-(dimethylamino)-3-methylbutyl]-4-methylsulfanyl-3-nitrobenzamide
CID 24650060
2-bromo-1-(4-methylsulfanyl-3-nitrophenyl)propan-1-one
CID 134618949
N-methyl-4-methylsulfanyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119553155
N-methyl-4-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 18115430
N-methyl-4-methylsulfanyl-3-nitro-N-(4-phenylbutyl)benzamide
CID 112837362
methyl 2-hydroxy-3-[(4-methylsulfanyl-3-nitrobenzoyl)amino]propanoate
CID 103957999
N-methyl-4-methylsulfanyl-3-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510480
N-[2-(N-methylanilino)propyl]-4-methylsulfanyl-3-nitrobenzamide
CID 112827335

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide?
The IUPAC name of N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide (CID 18129571) is N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide.
What is the SMILES notation for N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide?
The canonical SMILES for N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide is CON(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1.
What is the InChIKey of N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide?
The InChIKey is KQZVUKDKPLYTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-11(16-2)10(13)7-4-5-9(17-3)8(6-7)12(14)15/h4-6H,1-3H3.
What are the key properties of N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide?
N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide has a molecular weight of 256.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide is sourced from PubChem (CID 18129571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).