2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide

C26H21N3O3S3 — CID 16874544

IUPAC2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C26H21N3O3S3/c1-16-17(2)33-26(23(16)25-27-21-14-8-9-15-22(21)34-25)28-24(30)19-12-6-7-13-20(19)29-35(31,32)18-10-4-3-5-11-18/h3-15,29H,1-2H3,(H,28,30)
InChIKeyPEXBQQCQVJGZJW-UHFFFAOYSA-N
MW519.67 g/mol
LogP6.69
Rot. Bonds6

About 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide

2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 16874544) has the molecular formula C26H21N3O3S3 and a molecular weight of 519.67 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID16874544
Molecular FormulaC26H21N3O3S3
Molecular Weight519.67 g/mol
Exact Mass519.07
IUPAC Name2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C26H21N3O3S3/c1-16-17(2)33-26(23(16)25-27-21-14-8-9-15-22(21)34-25)28-24(30)19-12-6-7-13-20(19)29-35(31,32)18-10-4-3-5-11-18/h3-15,29H,1-2H3,(H,28,30)
InChIKeyPEXBQQCQVJGZJW-UHFFFAOYSA-N
XLogP6.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide 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-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3992916
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25040510
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121040865
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide
CID 16874469
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041109
ethyl N-[2-[[2-(benzenesulfonamido)benzoyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 121040768
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,6-difluorobenzamide
CID 16874519
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]naphthalene-2-carboxamide
CID 16874515
ethyl 5-[[3-(benzenesulfonamido)benzoyl]amino]-4-(1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxylate
CID 121046264
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041363
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-4-[bis(prop-2-enyl)sulfamoyl]benzamide
CID 16874500
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2-phenylsulfanylacetamide
CID 16874537

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide (CID 16874544) is 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(-c2nc3ccccc3s2)c1C.
What is the InChIKey of 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is PEXBQQCQVJGZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S3/c1-16-17(2)33-26(23(16)25-27-21-14-8-9-15-22(21)34-25)28-24(30)19-12-6-7-13-20(19)29-35(31,32)18-10-4-3-5-11-18/h3-15,29H,1-2H3,(H,28,30).
What are the key properties of 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide?
2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 519.67 g/mol, XLogP of 6.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 16874544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).