N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide

C20H34N2O4S — CID 20732018

IUPACN-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)N(CCN2CCOCC2)[C@H](C)CO)cc1
InChIInChI=1S/C20H34N2O4S/c1-3-4-5-6-19-7-9-20(10-8-19)27(24,25)22(18(2)17-23)12-11-21-13-15-26-16-14-21/h7-10,18,23H,3-6,11-17H2,1-2H3/t18-/m1/s1
InChIKeyZRQMROGOLVCRJV-GOSISDBHSA-N
MW398.57 g/mol
LogP2.12
Rot. Bonds11

About N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide

N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide (PubChem CID 20732018) has the molecular formula C20H34N2O4S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide
PubChem CID20732018
Molecular FormulaC20H34N2O4S
Molecular Weight398.57 g/mol
Exact Mass398.22
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)N(CCN2CCOCC2)[C@H](C)CO)cc1
InChIInChI=1S/C20H34N2O4S/c1-3-4-5-6-19-7-9-20(10-8-19)27(24,25)22(18(2)17-23)12-11-21-13-15-26-16-14-21/h7-10,18,23H,3-6,11-17H2,1-2H3/t18-/m1/s1
InChIKeyZRQMROGOLVCRJV-GOSISDBHSA-N
XLogP2.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 52.12
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

1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate
CID 17220
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
1-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 16314918
2-(4-(Mesitylsulfonyl)piperazin-1-yl)ethanol
CID 799299
4-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 991615
4-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 9397008
4-(4-Isopropyl-benzenesulfonyl)-morpholine
CID 812402
1-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 16330699
4-[4-(Toluene-4-sulfonyl)-piperazine-1-sulfonyl]-morpholine
CID 1091476
1-Morpholin-4-yl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 16323153
1-[4-(4-Butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 16330406
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide (CID 20732018) is N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)N(CCN2CCOCC2)[C@H](C)CO)cc1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide?
The InChIKey is ZRQMROGOLVCRJV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N2O4S/c1-3-4-5-6-19-7-9-20(10-8-19)27(24,25)22(18(2)17-23)12-11-21-13-15-26-16-14-21/h7-10,18,23H,3-6,11-17H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide?
N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide has a molecular weight of 398.57 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-N-(2-morpholin-4-ylethyl)-4-pentylbenzenesulfonamide is sourced from PubChem (CID 20732018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).