N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide

C18H19N3O3S2 — CID 20971882

IUPACN-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2s1
InChIInChI=1S/C18H19N3O3S2/c1-10-7-11(2)17(12(3)8-10)26(23,24)21-14-5-6-16-15(9-14)20-18(25-16)19-13(4)22/h5-9,21H,1-4H3,(H,19,20,22)
InChIKeyUSDBUNFTXYLSPU-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.98
Rot. Bonds4

About N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide

N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 20971882) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
PubChem CID20971882
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2s1
InChIInChI=1S/C18H19N3O3S2/c1-10-7-11(2)17(12(3)8-10)26(23,24)21-14-5-6-16-15(9-14)20-18(25-16)19-13(4)22/h5-9,21H,1-4H3,(H,19,20,22)
InChIKeyUSDBUNFTXYLSPU-UHFFFAOYSA-N
XLogP3.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide (CID 20971882) is N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2s1.
What is the InChIKey of N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is USDBUNFTXYLSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-10-7-11(2)17(12(3)8-10)26(23,24)21-14-5-6-16-15(9-14)20-18(25-16)19-13(4)22/h5-9,21H,1-4H3,(H,19,20,22).
What are the key properties of N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 20971882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).