N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide

C14H16N2O4S2 — CID 60597755

IUPACN-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCONC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-2-20-16-14(17)11-5-7-13(8-6-11)22(18,19)15-10-12-4-3-9-21-12/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyMGPKJNXHXPORMZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.91
Rot. Bonds7

About N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide

N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 60597755) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID60597755
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC NameN-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCONC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-2-20-16-14(17)11-5-7-13(8-6-11)22(18,19)15-10-12-4-3-9-21-12/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyMGPKJNXHXPORMZ-UHFFFAOYSA-N
XLogP1.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.91
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-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428510
N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 47082947
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119653300
ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
CID 22515786
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 167959278
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 60597755) is N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide is CCONC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is MGPKJNXHXPORMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-2-20-16-14(17)11-5-7-13(8-6-11)22(18,19)15-10-12-4-3-9-21-12/h3-9,15H,2,10H2,1H3,(H,16,17).
What are the key properties of N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 60597755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).