4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C22H32N2O3S2 — CID 4547943

IUPAC4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1
InChIInChI=1S/C22H32N2O3S2/c1-22(2,3)19-7-9-21(10-8-19)29(25,26)24(18-20-6-4-17-28-20)12-5-11-23-13-15-27-16-14-23/h4,6-10,17H,5,11-16,18H2,1-3H3
InChIKeyBXADJPLLDWAWKL-UHFFFAOYSA-N
MW436.64 g/mol
LogP3.96
Rot. Bonds8

About 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 4547943) has the molecular formula C22H32N2O3S2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID4547943
Molecular FormulaC22H32N2O3S2
Molecular Weight436.64 g/mol
Exact Mass436.19
IUPAC Name4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1
InChIInChI=1S/C22H32N2O3S2/c1-22(2,3)19-7-9-21(10-8-19)29(25,26)24(18-20-6-4-17-28-20)12-5-11-23-13-15-27-16-14-23/h4,6-10,17H,5,11-16,18H2,1-3H3
InChIKeyBXADJPLLDWAWKL-UHFFFAOYSA-N
XLogP3.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 4547943) is 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is BXADJPLLDWAWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3S2/c1-22(2,3)19-7-9-21(10-8-19)29(25,26)24(18-20-6-4-17-28-20)12-5-11-23-13-15-27-16-14-23/h4,6-10,17H,5,11-16,18H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 436.64 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4547943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).