N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

C21H18N4O3S2 — CID 25183329

IUPACN-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(N(C)S(=O)(=O)c4ccccc4)n3)cc2s1
InChIInChI=1S/C21H18N4O3S2/c1-14(26)22-21-24-18-12-11-15(13-19(18)29-21)17-9-6-10-20(23-17)25(2)30(27,28)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,22,24,26)
InChIKeyBYFMYWNXSBELOI-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.14
Rot. Bonds5

About N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 25183329) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID25183329
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(N(C)S(=O)(=O)c4ccccc4)n3)cc2s1
InChIInChI=1S/C21H18N4O3S2/c1-14(26)22-21-24-18-12-11-15(13-19(18)29-21)17-9-6-10-20(23-17)25(2)30(27,28)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,22,24,26)
InChIKeyBYFMYWNXSBELOI-UHFFFAOYSA-N
XLogP4.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (CID 25183329) is N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cccc(N(C)S(=O)(=O)c4ccccc4)n3)cc2s1.
What is the InChIKey of N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is BYFMYWNXSBELOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-14(26)22-21-24-18-12-11-15(13-19(18)29-21)17-9-6-10-20(23-17)25(2)30(27,28)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,22,24,26).
What are the key properties of N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 25183329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).