N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide

C30H37FN4O4S — CID 15519907

IUPACN-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
SMILESO=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)N1CCC(CCF)CC1
InChIInChI=1S/C30H37FN4O4S/c31-15-11-23-13-17-35(18-14-23)30(37)28(20-25-9-5-2-6-10-25)34-40(38,39)29-21-32-16-12-27(29)33-26(22-36)19-24-7-3-1-4-8-24/h1-10,12,16,21,23,26,28,34,36H,11,13-15,17-20,22H2,(H,32,33)/t26-,28-/m0/s1
InChIKeyUZAUROHKLWZYDK-XCZPVHLTSA-N
MW568.72 g/mol
LogP3.58
Rot. Bonds13

About N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide

N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide (PubChem CID 15519907) has the molecular formula C30H37FN4O4S and a molecular weight of 568.72 g/mol. Its IUPAC name is N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
PubChem CID15519907
Molecular FormulaC30H37FN4O4S
Molecular Weight568.72 g/mol
Exact Mass568.25
IUPAC NameN-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
SMILESO=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)N1CCC(CCF)CC1
InChIInChI=1S/C30H37FN4O4S/c31-15-11-23-13-17-35(18-14-23)30(37)28(20-25-9-5-2-6-10-25)34-40(38,39)29-21-32-16-12-27(29)33-26(22-36)19-24-7-3-1-4-8-24/h1-10,12,16,21,23,26,28,34,36H,11,13-15,17-20,22H2,(H,32,33)/t26-,28-/m0/s1
InChIKeyUZAUROHKLWZYDK-XCZPVHLTSA-N
XLogP3.58
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.72
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[(1-morpholin-4-yl-3-phenylpropan-2-yl)amino]pyridine-3-sulfonamide
CID 85149707
4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide
CID 15519902
N-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856928
N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(2-phenylacetyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide
CID 67860207
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 119483544
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxo-3-phenylpropan-2-yl]quinoline-8-sulfonamide
CID 20950520
N-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-4-ethoxybenzenesulfonamide
CID 43889147
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396
2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261023
3-[8-[[(2S)-3-(1,3-benzothiazol-2-yl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]-3-ethoxy-1,2,3,4-tetrahydroquinolin-6-yl]propanoic acid
CID 70086579
ethyl 1-[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30142685
ethyl 1-[2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 43888842

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide (CID 15519907) is N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide is O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)N1CCC(CCF)CC1.
What is the InChIKey of N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide?
The InChIKey is UZAUROHKLWZYDK-XCZPVHLTSA-N. The full InChI is InChI=1S/C30H37FN4O4S/c31-15-11-23-13-17-35(18-14-23)30(37)28(20-25-9-5-2-6-10-25)34-40(38,39)29-21-32-16-12-27(29)33-26(22-36)19-24-7-3-1-4-8-24/h1-10,12,16,21,23,26,28,34,36H,11,13-15,17-20,22H2,(H,32,33)/t26-,28-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide?
N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide has a molecular weight of 568.72 g/mol, XLogP of 3.58, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 15519907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).