2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C18H23NO4S2 — CID 90610877

IUPAC2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H23NO4S2/c1-2-23-17-7-3-4-8-18(17)25(20,21)19(14-16-6-5-13-24-16)15-9-11-22-12-10-15/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyFRNGIGLHOSVGPA-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.52
Rot. Bonds7

About 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 90610877) has the molecular formula C18H23NO4S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID90610877
Molecular FormulaC18H23NO4S2
Molecular Weight381.52 g/mol
Exact Mass381.11
IUPAC Name2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H23NO4S2/c1-2-23-17-7-3-4-8-18(17)25(20,21)19(14-16-6-5-13-24-16)15-9-11-22-12-10-15/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyFRNGIGLHOSVGPA-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 90610868
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610883
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 61449336
2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 106545411
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 61111603
N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 71781441
2-ethoxy-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583331
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 90610877) is 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCOc1ccccc1S(=O)(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is FRNGIGLHOSVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S2/c1-2-23-17-7-3-4-8-18(17)25(20,21)19(14-16-6-5-13-24-16)15-9-11-22-12-10-15/h3-8,13,15H,2,9-12,14H2,1H3.
What are the key properties of 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 90610877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).