2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide

C20H27NO3S2 — CID 30944367

IUPAC2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2(c3cccs3)CCOCC2)c1C
InChIInChI=1S/C20H27NO3S2/c1-14-12-15(2)17(4)19(16(14)3)26(22,23)21-13-20(7-9-24-10-8-20)18-6-5-11-25-18/h5-6,11-12,21H,7-10,13H2,1-4H3
InChIKeyFXOICWWUQUGCHJ-UHFFFAOYSA-N
MW393.57 g/mol
LogP4.01
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 30944367) has the molecular formula C20H27NO3S2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
PubChem CID30944367
Molecular FormulaC20H27NO3S2
Molecular Weight393.57 g/mol
Exact Mass393.14
IUPAC Name2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2(c3cccs3)CCOCC2)c1C
InChIInChI=1S/C20H27NO3S2/c1-14-12-15(2)17(4)19(16(14)3)26(22,23)21-13-20(7-9-24-10-8-20)18-6-5-11-25-18/h5-6,11-12,21H,7-10,13H2,1-4H3
InChIKeyFXOICWWUQUGCHJ-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (CID 30944367) is 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC2(c3cccs3)CCOCC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is FXOICWWUQUGCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S2/c1-14-12-15(2)17(4)19(16(14)3)26(22,23)21-13-20(7-9-24-10-8-20)18-6-5-11-25-18/h5-6,11-12,21H,7-10,13H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 393.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 30944367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).