2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide

C22H30N2O3S — CID 16892892

IUPAC2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H30N2O3S/c25-28(26,18-13-20-9-3-1-4-10-20)23-14-7-8-15-24-16-17-27-22(19-24)21-11-5-2-6-12-21/h1-6,9-12,22-23H,7-8,13-19H2
InChIKeyLSMGRCZFPOXNIZ-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.00
Rot. Bonds10

About 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide

2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide (PubChem CID 16892892) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
PubChem CID16892892
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H30N2O3S/c25-28(26,18-13-20-9-3-1-4-10-20)23-14-7-8-15-24-16-17-27-22(19-24)21-11-5-2-6-12-21/h1-6,9-12,22-23H,7-8,13-19H2
InChIKeyLSMGRCZFPOXNIZ-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892924
1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892921
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892838
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
CID 16892749
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide
CID 51866730
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide (CID 16892892) is 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCCCN1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide?
The InChIKey is LSMGRCZFPOXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c25-28(26,18-13-20-9-3-1-4-10-20)23-14-7-8-15-24-16-17-27-22(19-24)21-11-5-2-6-12-21/h1-6,9-12,22-23H,7-8,13-19H2.
What are the key properties of 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide?
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide is sourced from PubChem (CID 16892892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).