(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide

C24H32FN3O4S — CID 55940699

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide
SMILESCC(C)C(CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C24H32FN3O4S/c1-18(2)22(28-12-14-32-15-13-28)17-26-24(29)21(16-19-8-4-3-5-9-19)27-33(30,31)23-11-7-6-10-20(23)25/h3-11,18,21-22,27H,12-17H2,1-2H3,(H,26,29)/t21-,22?/m0/s1
InChIKeyVKGRBKSYDZKTRU-HMTLIYDFSA-N
MW477.60 g/mol
LogP2.19
Rot. Bonds10

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide (PubChem CID 55940699) has the molecular formula C24H32FN3O4S and a molecular weight of 477.60 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide
PubChem CID55940699
Molecular FormulaC24H32FN3O4S
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide
SMILESCC(C)C(CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C24H32FN3O4S/c1-18(2)22(28-12-14-32-15-13-28)17-26-24(29)21(16-19-8-4-3-5-9-19)27-33(30,31)23-11-7-6-10-20(23)25/h3-11,18,21-22,27H,12-17H2,1-2H3,(H,26,29)/t21-,22?/m0/s1
InChIKeyVKGRBKSYDZKTRU-HMTLIYDFSA-N
XLogP2.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
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
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 55978049
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55963872
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide (CID 55940699) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide is CC(C)C(CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CCOCC1.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide?
The InChIKey is VKGRBKSYDZKTRU-HMTLIYDFSA-N. The full InChI is InChI=1S/C24H32FN3O4S/c1-18(2)22(28-12-14-32-15-13-28)17-26-24(29)21(16-19-8-4-3-5-9-19)27-33(30,31)23-11-7-6-10-20(23)25/h3-11,18,21-22,27H,12-17H2,1-2H3,(H,26,29)/t21-,22?/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide has a molecular weight of 477.60 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 55940699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).