N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide

C14H16N2O5S2 — CID 90584070

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccsc1
InChIInChI=1S/C14H16N2O5S2/c1-10-3-4-12(16(17)18)7-14(10)23(19,20)15-8-13(21-2)11-5-6-22-9-11/h3-7,9,13,15H,8H2,1-2H3
InChIKeyVBGFPFXJEGYIAH-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.63
Rot. Bonds7

About N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide

N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 90584070) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
PubChem CID90584070
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccsc1
InChIInChI=1S/C14H16N2O5S2/c1-10-3-4-12(16(17)18)7-14(10)23(19,20)15-8-13(21-2)11-5-6-22-9-11/h3-7,9,13,15H,8H2,1-2H3
InChIKeyVBGFPFXJEGYIAH-UHFFFAOYSA-N
XLogP2.63
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.63
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-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
2-hydroxy-3-[(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid
CID 66166278
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 97427133
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
2-methyl-5-nitro-N-(2-phenylbutyl)benzenesulfonamide
CID 43029553
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782
2-methyl-5-nitro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834036

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide (CID 90584070) is N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide is COC(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is VBGFPFXJEGYIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-10-3-4-12(16(17)18)7-14(10)23(19,20)15-8-13(21-2)11-5-6-22-9-11/h3-7,9,13,15H,8H2,1-2H3.
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 90584070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).