N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H21N3O3S2 — CID 4827107

IUPACN-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21N3O3S2/c1-14-7-5-6-11-19(14)16(21)13-20(17-18-10-12-24-17)25(22,23)15-8-3-2-4-9-15/h2-4,8-10,12,14H,5-7,11,13H2,1H3
InChIKeyRAVKUWKOHRKEES-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 4827107) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID4827107
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21N3O3S2/c1-14-7-5-6-11-19(14)16(21)13-20(17-18-10-12-24-17)25(22,23)15-8-3-2-4-9-15/h2-4,8-10,12,14H,5-7,11,13H2,1H3
InChIKeyRAVKUWKOHRKEES-UHFFFAOYSA-N
XLogP2.74
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 4827107) is N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC1CCCCN1C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is RAVKUWKOHRKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-14-7-5-6-11-19(14)16(21)13-20(17-18-10-12-24-17)25(22,23)15-8-3-2-4-9-15/h2-4,8-10,12,14H,5-7,11,13H2,1H3.
What are the key properties of N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 379.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 4827107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).