4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide

C19H21N3O3S2 — CID 20630821

IUPAC4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12
InChIInChI=1S/C19H21N3O3S2/c1-12-15(9-10-16-17(12)26-11-20-16)21-18(23)13-5-7-14(8-6-13)22-27(24,25)19(2,3)4/h5-11,22H,1-4H3,(H,21,23)
InChIKeyGIAOHOVAVJZNPE-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.40
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide

4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 20630821) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID20630821
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12
InChIInChI=1S/C19H21N3O3S2/c1-12-15(9-10-16-17(12)26-11-20-16)21-18(23)13-5-7-14(8-6-13)22-27(24,25)19(2,3)4/h5-11,22H,1-4H3,(H,21,23)
InChIKeyGIAOHOVAVJZNPE-UHFFFAOYSA-N
XLogP4.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide (CID 20630821) is 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is GIAOHOVAVJZNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-12-15(9-10-16-17(12)26-11-20-16)21-18(23)13-5-7-14(8-6-13)22-27(24,25)19(2,3)4/h5-11,22H,1-4H3,(H,21,23).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide?
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 20630821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).