3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide

C16H19N3O4S2 — CID 4793839

IUPAC3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
SMILESCCc1sc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC)c2)cc1C
InChIInChI=1S/C16H19N3O4S2/c1-4-13-10(2)8-14(24-13)16(21)19-18-15(20)11-6-5-7-12(9-11)25(22,23)17-3/h5-9,17H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFKDJMNAIJCIWFE-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.60
Rot. Bonds5

About 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide

3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide (PubChem CID 4793839) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
PubChem CID4793839
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
SMILESCCc1sc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC)c2)cc1C
InChIInChI=1S/C16H19N3O4S2/c1-4-13-10(2)8-14(24-13)16(21)19-18-15(20)11-6-5-7-12(9-11)25(22,23)17-3/h5-9,17H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFKDJMNAIJCIWFE-UHFFFAOYSA-N
XLogP1.60
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55656221
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-N-methylbenzenesulfonamide
CID 27684841
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9371915
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418354

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide (CID 4793839) is 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide is CCc1sc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC)c2)cc1C.
What is the InChIKey of 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
The InChIKey is FKDJMNAIJCIWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-4-13-10(2)8-14(24-13)16(21)19-18-15(20)11-6-5-7-12(9-11)25(22,23)17-3/h5-9,17H,4H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 4793839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).