(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide

C20H24FN3O5S — CID 24517742

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C20H24FN3O5S/c1-14(20(26)22-12-5-13-29-19-7-4-3-6-18(19)21)24-30(27,28)17-10-8-16(9-11-17)23-15(2)25/h3-4,6-11,14,24H,5,12-13H2,1-2H3,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyANSDHUGNGXLZGC-AWEZNQCLSA-N
MW437.49 g/mol
LogP2.04
Rot. Bonds10

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide (PubChem CID 24517742) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
PubChem CID24517742
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C20H24FN3O5S/c1-14(20(26)22-12-5-13-29-19-7-4-3-6-18(19)21)24-30(27,28)17-10-8-16(9-11-17)23-15(2)25/h3-4,6-11,14,24H,5,12-13H2,1-2H3,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyANSDHUGNGXLZGC-AWEZNQCLSA-N
XLogP2.04
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55940319
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24560457
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24661817
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 8842049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide (CID 24517742) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCOc2ccccc2F)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide?
The InChIKey is ANSDHUGNGXLZGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-14(20(26)22-12-5-13-29-19-7-4-3-6-18(19)21)24-30(27,28)17-10-8-16(9-11-17)23-15(2)25/h3-4,6-11,14,24H,5,12-13H2,1-2H3,(H,22,26)(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide has a molecular weight of 437.49 g/mol, XLogP of 2.04, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide is sourced from PubChem (CID 24517742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).