ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate

C15H16N2O6S2 — CID 19203695

IUPACethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O6S2/c1-3-10-9-11(15(18)23-4-2)14(24-10)16-25(21,22)13-8-6-5-7-12(13)17(19)20/h5-9,16H,3-4H2,1-2H3
InChIKeyBGIHSRPMSNRSCA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.20
Rot. Bonds7

About ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate (PubChem CID 19203695) has the molecular formula C15H16N2O6S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate
PubChem CID19203695
Molecular FormulaC15H16N2O6S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Nameethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O6S2/c1-3-10-9-11(15(18)23-4-2)14(24-10)16-25(21,22)13-8-6-5-7-12(13)17(19)20/h5-9,16H,3-4H2,1-2H3
InChIKeyBGIHSRPMSNRSCA-UHFFFAOYSA-N
XLogP3.20
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate
CID 114811418
ethyl 4-methyl-2-[(2-nitrophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19203719
ethyl 6-methyl-2-[(2-nitrophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19203659
ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate
CID 63531002
ethyl 2-(3-chloropropylsulfonylamino)-5-ethylthiophene-3-carboxylate
CID 43654266
ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]-5-[(1,3-dioxoisoindol-2-yl)methyl]thiophene-3-carboxylate
CID 110504734
methyl 4-(4-ethylphenyl)-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate
CID 19228895
ethyl 5-ethyl-2-[[2-(3-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 7865151
methyl 3-methyl-2-[(2-nitrophenyl)sulfonylamino]benzoate
CID 52700388
ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-propylthiophene-3-carboxylate
CID 1009155
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate (CID 19203695) is ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate?
The InChIKey is BGIHSRPMSNRSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S2/c1-3-10-9-11(15(18)23-4-2)14(24-10)16-25(21,22)13-8-6-5-7-12(13)17(19)20/h5-9,16H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate is sourced from PubChem (CID 19203695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).