2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C20H26ClN3O3S2 — CID 2374069

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)CC(C)(C)N1
InChIInChI=1S/C20H26ClN3O3S2/c1-19(2)11-13(12-20(3,4)24-19)22-18(25)14-7-5-6-8-15(14)23-29(26,27)17-10-9-16(21)28-17/h5-10,13,23-24H,11-12H2,1-4H3,(H,22,25)
InChIKeyGYUGVJFVUVERJL-UHFFFAOYSA-N
MW456.03 g/mol
LogP4.24
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 2374069) has the molecular formula C20H26ClN3O3S2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID2374069
Molecular FormulaC20H26ClN3O3S2
Molecular Weight456.03 g/mol
Exact Mass455.11
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)CC(C)(C)N1
InChIInChI=1S/C20H26ClN3O3S2/c1-19(2)11-13(12-20(3,4)24-19)22-18(25)14-7-5-6-8-15(14)23-29(26,27)17-10-9-16(21)28-17/h5-10,13,23-24H,11-12H2,1-4H3,(H,22,25)
InChIKeyGYUGVJFVUVERJL-UHFFFAOYSA-N
XLogP4.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 2374069) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)CC(C)(C)N1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is GYUGVJFVUVERJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S2/c1-19(2)11-13(12-20(3,4)24-19)22-18(25)14-7-5-6-8-15(14)23-29(26,27)17-10-9-16(21)28-17/h5-10,13,23-24H,11-12H2,1-4H3,(H,22,25).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 456.03 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 2374069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).