N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide

C17H22N2O3S2 — CID 16892763

IUPACN-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1cccs1
InChIInChI=1S/C17H22N2O3S2/c20-24(21,17-8-4-13-23-17)18-9-5-10-19-11-12-22-16(14-19)15-6-2-1-3-7-15/h1-4,6-8,13,16,18H,5,9-12,14H2
InChIKeyKGMDPYBILAFNNQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.49
Rot. Bonds7

About N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide

N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide (PubChem CID 16892763) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
PubChem CID16892763
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1cccs1
InChIInChI=1S/C17H22N2O3S2/c20-24(21,17-8-4-13-23-17)18-9-5-10-19-11-12-22-16(14-19)15-6-2-1-3-7-15/h1-4,6-8,13,16,18H,5,9-12,14H2
InChIKeyKGMDPYBILAFNNQ-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide (CID 16892763) is N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1cccs1.
What is the InChIKey of N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is KGMDPYBILAFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c20-24(21,17-8-4-13-23-17)18-9-5-10-19-11-12-22-16(14-19)15-6-2-1-3-7-15/h1-4,6-8,13,16,18H,5,9-12,14H2.
What are the key properties of N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylmorpholin-4-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16892763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).