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

C20H17N5O4S2 — CID 51354317

IUPACN-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1
InChIInChI=1S/C20H17N5O4S2/c1-12(26)22-20-24-16-8-3-13(9-18(16)30-20)17-10-21-11-19(23-17)25-31(27,28)15-6-4-14(29-2)5-7-15/h3-11H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyAPXMTNJAMHGVDJ-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.52
Rot. Bonds6

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

N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 51354317) has the molecular formula C20H17N5O4S2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID51354317
Molecular FormulaC20H17N5O4S2
Molecular Weight455.52 g/mol
Exact Mass455.07
IUPAC NameN-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1
InChIInChI=1S/C20H17N5O4S2/c1-12(26)22-20-24-16-8-3-13(9-18(16)30-20)17-10-21-11-19(23-17)25-31(27,28)15-6-4-14(29-2)5-7-15/h3-11H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyAPXMTNJAMHGVDJ-UHFFFAOYSA-N
XLogP3.52
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide (CID 51354317) is N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide is COc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1.
What is the InChIKey of N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is APXMTNJAMHGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S2/c1-12(26)22-20-24-16-8-3-13(9-18(16)30-20)17-10-21-11-19(23-17)25-31(27,28)15-6-4-14(29-2)5-7-15/h3-11H,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 455.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[(4-methoxyphenyl)sulfonylamino]pyrazin-2-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 51354317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).