N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide

C22H26N4O3S3 — CID 24611260

IUPACN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)n2)C1
InChIInChI=1S/C22H26N4O3S3/c1-15-10-16(2)12-26(11-15)13-19-14-31-22(23-19)24-21(27)17-5-7-18(8-6-17)25-32(28,29)20-4-3-9-30-20/h3-9,14-16,25H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyBYGQATMECJPXLK-UHFFFAOYSA-N
MW490.68 g/mol
LogP4.74
Rot. Bonds7

About N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 24611260) has the molecular formula C22H26N4O3S3 and a molecular weight of 490.68 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID24611260
Molecular FormulaC22H26N4O3S3
Molecular Weight490.68 g/mol
Exact Mass490.12
IUPAC NameN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)n2)C1
InChIInChI=1S/C22H26N4O3S3/c1-15-10-16(2)12-26(11-15)13-19-14-31-22(23-19)24-21(27)17-5-7-18(8-6-17)25-32(28,29)20-4-3-9-30-20/h3-9,14-16,25H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyBYGQATMECJPXLK-UHFFFAOYSA-N
XLogP4.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.68
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 24611260) is N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide is CC1CC(C)CN(Cc2csc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)n2)C1.
What is the InChIKey of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is BYGQATMECJPXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S3/c1-15-10-16(2)12-26(11-15)13-19-14-31-22(23-19)24-21(27)17-5-7-18(8-6-17)25-32(28,29)20-4-3-9-30-20/h3-9,14-16,25H,10-13H2,1-2H3,(H,23,24,27).
What are the key properties of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 490.68 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 24611260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).