5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide

C20H28N2O3S2 — CID 51866730

IUPAC5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)s1
InChIInChI=1S/C20H28N2O3S2/c1-2-18-10-11-20(26-18)27(23,24)21-12-6-7-13-22-14-15-25-19(16-22)17-8-4-3-5-9-17/h3-5,8-11,19,21H,2,6-7,12-16H2,1H3/t19-/m1/s1
InChIKeyKJYRDJOFFWBQSG-LJQANCHMSA-N
MW408.59 g/mol
LogP3.44
Rot. Bonds9

About 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide

5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide (PubChem CID 51866730) has the molecular formula C20H28N2O3S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide
PubChem CID51866730
Molecular FormulaC20H28N2O3S2
Molecular Weight408.59 g/mol
Exact Mass408.15
IUPAC Name5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)s1
InChIInChI=1S/C20H28N2O3S2/c1-2-18-10-11-20(26-18)27(23,24)21-12-6-7-13-22-14-15-25-19(16-22)17-8-4-3-5-9-17/h3-5,8-11,19,21H,2,6-7,12-16H2,1H3/t19-/m1/s1
InChIKeyKJYRDJOFFWBQSG-LJQANCHMSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide (CID 51866730) is 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)s1.
What is the InChIKey of 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide?
The InChIKey is KJYRDJOFFWBQSG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2O3S2/c1-2-18-10-11-20(26-18)27(23,24)21-12-6-7-13-22-14-15-25-19(16-22)17-8-4-3-5-9-17/h3-5,8-11,19,21H,2,6-7,12-16H2,1H3/t19-/m1/s1.
What are the key properties of 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide?
5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide has a molecular weight of 408.59 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51866730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).