2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide

C23H30FN3O4S2 — CID 55331547

IUPAC2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H30FN3O4S2/c1-32-16-11-21(26-33(29,30)20-5-3-2-4-6-20)23(28)25-17-22(27-12-14-31-15-13-27)18-7-9-19(24)10-8-18/h2-10,21-22,26H,11-17H2,1H3,(H,25,28)
InChIKeyOKXISGVXUJLSFY-UHFFFAOYSA-N
MW495.64 g/mol
LogP2.42
Rot. Bonds11

About 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide

2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide (PubChem CID 55331547) has the molecular formula C23H30FN3O4S2 and a molecular weight of 495.64 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide
PubChem CID55331547
Molecular FormulaC23H30FN3O4S2
Molecular Weight495.64 g/mol
Exact Mass495.17
IUPAC Name2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H30FN3O4S2/c1-32-16-11-21(26-33(29,30)20-5-3-2-4-6-20)23(28)25-17-22(27-12-14-31-15-13-27)18-7-9-19(24)10-8-18/h2-10,21-22,26H,11-17H2,1H3,(H,25,28)
InChIKeyOKXISGVXUJLSFY-UHFFFAOYSA-N
XLogP2.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 55574026
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-morpholin-4-ylpropyl)butanamide
CID 55638466
2-[(2-fluorophenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)-4-methylsulfanylbutanamide
CID 55521691
N-[(2S)-1-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 37288622
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55937120
2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 55679207
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
CID 112793827
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide (CID 55331547) is 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide?
The InChIKey is OKXISGVXUJLSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4S2/c1-32-16-11-21(26-33(29,30)20-5-3-2-4-6-20)23(28)25-17-22(27-12-14-31-15-13-27)18-7-9-19(24)10-8-18/h2-10,21-22,26H,11-17H2,1H3,(H,25,28).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide?
2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide has a molecular weight of 495.64 g/mol, XLogP of 2.42, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55331547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).