4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide

C19H17N3O3S3 — CID 16823704

IUPAC4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide
SMILESCc1nc2c(ccc3nc(NC(=O)CCCS(=O)(=O)c4ccccc4)sc32)s1
InChIInChI=1S/C19H17N3O3S3/c1-12-20-17-15(26-12)10-9-14-18(17)27-19(21-14)22-16(23)8-5-11-28(24,25)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,21,22,23)
InChIKeySCHQSCWTDZSYER-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.41
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide

4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide (PubChem CID 16823704) has the molecular formula C19H17N3O3S3 and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide
PubChem CID16823704
Molecular FormulaC19H17N3O3S3
Molecular Weight431.56 g/mol
Exact Mass431.04
IUPAC Name4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide
SMILESCc1nc2c(ccc3nc(NC(=O)CCCS(=O)(=O)c4ccccc4)sc32)s1
InChIInChI=1S/C19H17N3O3S3/c1-12-20-17-15(26-12)10-9-14-18(17)27-19(21-14)22-16(23)8-5-11-28(24,25)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,21,22,23)
InChIKeySCHQSCWTDZSYER-UHFFFAOYSA-N
XLogP4.41
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide (CID 16823704) is 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide is Cc1nc2c(ccc3nc(NC(=O)CCCS(=O)(=O)c4ccccc4)sc32)s1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide?
The InChIKey is SCHQSCWTDZSYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S3/c1-12-20-17-15(26-12)10-9-14-18(17)27-19(21-14)22-16(23)8-5-11-28(24,25)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,21,22,23).
What are the key properties of 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide?
4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide has a molecular weight of 431.56 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide is sourced from PubChem (CID 16823704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).