N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C17H22N2O3S2 — CID 6710473

IUPACN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H22N2O3S2/c1-14(18-24(20,21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)19-9-11-22-12-10-19/h2-8,13-14,17-18H,9-12H2,1H3
InChIKeyKMYYBAQGVMPUSS-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.49
Rot. Bonds6

About N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 6710473) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID6710473
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H22N2O3S2/c1-14(18-24(20,21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)19-9-11-22-12-10-19/h2-8,13-14,17-18H,9-12H2,1H3
InChIKeyKMYYBAQGVMPUSS-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 6710473) is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is KMYYBAQGVMPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-14(18-24(20,21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)19-9-11-22-12-10-19/h2-8,13-14,17-18H,9-12H2,1H3.
What are the key properties of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 6710473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).