4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide

C15H17N3O5S2 — CID 2907877

IUPAC4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O5S2/c1-3-17(4-2)25(22,23)11-9-14(24-10-11)15(19)16-12-7-5-6-8-13(12)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyOUEQEBKNSRPTHX-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.94
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide

4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide (PubChem CID 2907877) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
PubChem CID2907877
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O5S2/c1-3-17(4-2)25(22,23)11-9-14(24-10-11)15(19)16-12-7-5-6-8-13(12)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyOUEQEBKNSRPTHX-UHFFFAOYSA-N
XLogP2.94
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.94
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

4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
CID 6503203
2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate
CID 6968672
N-(4-acetylphenyl)-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 6503218
3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide
CID 55578752
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503193
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503209
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503197
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
CID 4878100
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
CID 26891825
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-nitroanilino)propanamide
CID 16962406

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide (CID 2907877) is 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is OUEQEBKNSRPTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-3-17(4-2)25(22,23)11-9-14(24-10-11)15(19)16-12-7-5-6-8-13(12)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide?
4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2907877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).