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

C25H26FN3O4S — CID 55978049

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C25H26FN3O4S/c26-22-11-4-5-12-24(22)34(31,32)28-23(17-19-7-2-1-3-8-19)25(30)27-20-9-6-10-21(18-20)29-13-15-33-16-14-29/h1-12,18,23,28H,13-17H2,(H,27,30)/t23-/m0/s1
InChIKeyACXXPDMEXDHISN-QHCPKHFHSA-N
MW483.57 g/mol
LogP3.19
Rot. Bonds8

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

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide (PubChem CID 55978049) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide
PubChem CID55978049
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C25H26FN3O4S/c26-22-11-4-5-12-24(22)34(31,32)28-23(17-19-7-2-1-3-8-19)25(30)27-20-9-6-10-21(18-20)29-13-15-33-16-14-29/h1-12,18,23,28H,13-17H2,(H,27,30)/t23-/m0/s1
InChIKeyACXXPDMEXDHISN-QHCPKHFHSA-N
XLogP3.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 18224680
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide
CID 55940699
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
N-(3-morpholin-4-ylphenyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110612953
(2S)-N-(2-chlorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55937511
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55834771
N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 56581236
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649253
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540838

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide (CID 55978049) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide is O=C(Nc1cccc(N2CCOCC2)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide?
The InChIKey is ACXXPDMEXDHISN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c26-22-11-4-5-12-24(22)34(31,32)28-23(17-19-7-2-1-3-8-19)25(30)27-20-9-6-10-21(18-20)29-13-15-33-16-14-29/h1-12,18,23,28H,13-17H2,(H,27,30)/t23-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylphenyl)-3-phenylpropanamide has a molecular weight of 483.57 g/mol, XLogP of 3.19, 8 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-morpholin-4-ylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 55978049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).