N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

C16H19N3O4S2 — CID 1381288

IUPACN,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-3-19(4-2)25(22,23)13-9-7-12(8-10-13)15(20)17-18-16(21)14-6-5-11-24-14/h5-11H,3-4H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMUFREURTGPTBJO-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.85
Rot. Bonds6

About N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 1381288) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID1381288
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-3-19(4-2)25(22,23)13-9-7-12(8-10-13)15(20)17-18-16(21)14-6-5-11-24-14/h5-11H,3-4H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMUFREURTGPTBJO-UHFFFAOYSA-N
XLogP1.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoylthiophene-2-carbohydrazide
CID 790437
4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-[5-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]benzamide
CID 89665057
N'-(2-fluorophenyl)sulfonyl-3-thiophen-2-ylbenzohydrazide
CID 124132176
N'-(benzenesulfonyl)-3-thiophen-2-ylbenzohydrazide
CID 124132186
N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide
CID 135298548
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
4-(dimethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 2675259
N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide
CID 4796702

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 1381288) is N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is MUFREURTGPTBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-3-19(4-2)25(22,23)13-9-7-12(8-10-13)15(20)17-18-16(21)14-6-5-11-24-14/h5-11H,3-4H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 1381288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).