N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide

C22H30N2O3S — CID 8844499

IUPACN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-3-4-19-7-11-21(12-8-19)28(25,26)23-22(17-24-13-15-27-16-14-24)20-9-5-18(2)6-10-20/h5-12,22-23H,3-4,13-17H2,1-2H3/t22-/m0/s1
InChIKeyPTOFSQIQVYJIJA-QFIPXVFZSA-N
MW402.56 g/mol
LogP3.30
Rot. Bonds8

About N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide

N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide (PubChem CID 8844499) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
PubChem CID8844499
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-3-4-19-7-11-21(12-8-19)28(25,26)23-22(17-24-13-15-27-16-14-24)20-9-5-18(2)6-10-20/h5-12,22-23H,3-4,13-17H2,1-2H3/t22-/m0/s1
InChIKeyPTOFSQIQVYJIJA-QFIPXVFZSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 8844524
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
2-morpholin-4-yl-1-(4-propylphenyl)ethanamine
CID 16792951
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 75437835
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843
4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24560111
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide (CID 8844499) is N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide?
The InChIKey is PTOFSQIQVYJIJA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-4-19-7-11-21(12-8-19)28(25,26)23-22(17-24-13-15-27-16-14-24)20-9-5-18(2)6-10-20/h5-12,22-23H,3-4,13-17H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide?
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 8844499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).