N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide

C18H17ClN2O3S2 — CID 41126782

IUPACN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(Cl)c2s/c(=N\C(=O)Cc3ccc(S(C)(=O)=O)cc3)n(C)c12
InChIInChI=1S/C18H17ClN2O3S2/c1-11-4-9-14(19)17-16(11)21(2)18(25-17)20-15(22)10-12-5-7-13(8-6-12)26(3,23)24/h4-9H,10H2,1-3H3/b20-18-
InChIKeyQJTUMOZDSFYBNE-ZZEZOPTASA-N
MW408.93 g/mol
LogP3.28
Rot. Bonds3

About N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide

N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 41126782) has the molecular formula C18H17ClN2O3S2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID41126782
Molecular FormulaC18H17ClN2O3S2
Molecular Weight408.93 g/mol
Exact Mass408.04
IUPAC NameN-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(Cl)c2s/c(=N\C(=O)Cc3ccc(S(C)(=O)=O)cc3)n(C)c12
InChIInChI=1S/C18H17ClN2O3S2/c1-11-4-9-14(19)17-16(11)21(2)18(25-17)20-15(22)10-12-5-7-13(8-6-12)26(3,23)24/h4-9H,10H2,1-3H3/b20-18-
InChIKeyQJTUMOZDSFYBNE-ZZEZOPTASA-N
XLogP3.28
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide 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

4-(benzenesulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide
CID 41087126
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide
CID 40951683
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 40885080
(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937621
N-(7-chloro-4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
CID 40952216
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide
CID 4107936
4-[bis(prop-2-enyl)sulfamoyl]-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079934
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4618719
2-(4-ethylsulfonylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126899
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364141
2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 40885394
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide (CID 41126782) is N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide is Cc1ccc(Cl)c2s/c(=N\C(=O)Cc3ccc(S(C)(=O)=O)cc3)n(C)c12.
What is the InChIKey of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is QJTUMOZDSFYBNE-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2O3S2/c1-11-4-9-14(19)17-16(11)21(2)18(25-17)20-15(22)10-12-5-7-13(8-6-12)26(3,23)24/h4-9H,10H2,1-3H3/b20-18-.
What are the key properties of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide?
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 408.93 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 41126782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).