N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

C19H15N3O3S3 — CID 12004426

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1
InChIInChI=1S/C19H15N3O3S3/c1-12-4-9-15-16(11-12)27-19(20-15)21-18(23)13-5-7-14(8-6-13)22-28(24,25)17-3-2-10-26-17/h2-11,22H,1H3,(H,20,21,23)
InChIKeyPGGBHCWMRIVRLD-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.72
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 12004426) has the molecular formula C19H15N3O3S3 and a molecular weight of 429.55 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID12004426
Molecular FormulaC19H15N3O3S3
Molecular Weight429.55 g/mol
Exact Mass429.03
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1
InChIInChI=1S/C19H15N3O3S3/c1-12-4-9-15-16(11-12)27-19(20-15)21-18(23)13-5-7-14(8-6-13)22-28(24,25)17-3-2-10-26-17/h2-11,22H,1H3,(H,20,21,23)
InChIKeyPGGBHCWMRIVRLD-UHFFFAOYSA-N
XLogP4.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
Iwp-2
CID 2155128
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 12004426) is N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is PGGBHCWMRIVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S3/c1-12-4-9-15-16(11-12)27-19(20-15)21-18(23)13-5-7-14(8-6-13)22-28(24,25)17-3-2-10-26-17/h2-11,22H,1H3,(H,20,21,23).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 429.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 12004426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).