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'}

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Related Compounds

N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892921
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092

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).