N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide

C16H18N2O4S2 — CID 6493689

IUPACN-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c19-16(17-11-12-5-3-9-22-12)13-6-1-2-7-14(13)18-24(20,21)15-8-4-10-23-15/h1-2,4,6-8,10,12,18H,3,5,9,11H2,(H,17,19)
InChIKeyBZXZIOHFPDCJPX-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.46
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide

N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6493689) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6493689
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c19-16(17-11-12-5-3-9-22-12)13-6-1-2-7-14(13)18-24(20,21)15-8-4-10-23-15/h1-2,4,6-8,10,12,18H,3,5,9,11H2,(H,17,19)
InChIKeyBZXZIOHFPDCJPX-UHFFFAOYSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide (CID 6493689) is N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is BZXZIOHFPDCJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-16(17-11-12-5-3-9-22-12)13-6-1-2-7-14(13)18-24(20,21)15-8-4-10-23-15/h1-2,4,6-8,10,12,18H,3,5,9,11H2,(H,17,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6493689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).