2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C24H28N2O4S2 — CID 16938836

About 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16938836) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 16938836
• Molecular Formula: C24H28N2O4S2
• Molecular Weight: 472.63 g/mol
• Exact Mass: 472.15
• IUPAC Name: 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCS(=O)(=O)c1ccccc1C(=O)N(CC1CCCO1)c1nc2c(C(C)C)cccc2s1
• InChI: InChI=1S/C24H28N2O4S2/c1-4-32(28,29)21-13-6-5-10-19(21)23(27)26(15-17-9-8-14-30-17)24-25-22-18(16(2)3)11-7-12-20(22)31-24/h5-7,10-13,16-17H,4,8-9,14-15H2,1-3H3
• InChIKey: GPEZZKXFMBZRKW-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 76.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.63
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 16938836) is 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)N(CC1CCCO1)c1nc2c(C(C)C)cccc2s1.

What is the InChIKey of 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is GPEZZKXFMBZRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-4-32(28,29)21-13-6-5-10-19(21)23(27)26(15-17-9-8-14-30-17)24-25-22-18(16(2)3)11-7-12-20(22)31-24/h5-7,10-13,16-17H,4,8-9,14-15H2,1-3H3.

What are the key properties of 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 472.63 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethylsulfonyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16938836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).