2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide

C19H23N3O3S — CID 119101398

IUPAC2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C)c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-5-15(14-9-7-6-8-10-14)19(23)20-16-12-18-17(11-13(16)2)21(3)26(24,25)22(18)4/h6-12,15H,5H2,1-4H3,(H,20,23)
InChIKeyOIVHHTOCQZXDMX-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.26
Rot. Bonds4

About 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide

2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide (PubChem CID 119101398) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide
PubChem CID119101398
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C)c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-5-15(14-9-7-6-8-10-14)19(23)20-16-12-18-17(11-13(16)2)21(3)26(24,25)22(18)4/h6-12,15H,5H2,1-4H3,(H,20,23)
InChIKeyOIVHHTOCQZXDMX-UHFFFAOYSA-N
XLogP3.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide 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

N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
2-(2-fluorophenoxy)-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)propanamide
CID 121018676
N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
CID 2891424
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-3,3-diphenylpropanamide
CID 122244006
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide?
The IUPAC name of 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide (CID 119101398) is 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide.
What is the SMILES notation for 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide?
The canonical SMILES for 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide is CCC(C(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide?
The InChIKey is OIVHHTOCQZXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-15(14-9-7-6-8-10-14)19(23)20-16-12-18-17(11-13(16)2)21(3)26(24,25)22(18)4/h6-12,15H,5H2,1-4H3,(H,20,23).
What are the key properties of 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide?
2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide has a molecular weight of 373.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide is sourced from PubChem (CID 119101398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).