2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide

C26H37N5O4S — CID 10006735

IUPAC2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1
InChIInChI=1S/C26H37N5O4S/c1-26(2,27)25(33)28-22(14-9-12-20-10-5-4-6-11-20)24(32)31-18-16-30(17-19-31)23-15-8-7-13-21(23)29-36(3,34)35/h4-8,10-11,13,15,22,29H,9,12,14,16-19,27H2,1-3H3,(H,28,33)/t22-/m1/s1
InChIKeyJUXMZLORUUNNIS-JOCHJYFZSA-N
MW515.68 g/mol
LogP1.95
Rot. Bonds10

About 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide (PubChem CID 10006735) has the molecular formula C26H37N5O4S and a molecular weight of 515.68 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide
PubChem CID10006735
Molecular FormulaC26H37N5O4S
Molecular Weight515.68 g/mol
Exact Mass515.26
IUPAC Name2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1
InChIInChI=1S/C26H37N5O4S/c1-26(2,27)25(33)28-22(14-9-12-20-10-5-4-6-11-20)24(32)31-18-16-30(17-19-31)23-15-8-7-13-21(23)29-36(3,34)35/h4-8,10-11,13,15,22,29H,9,12,14,16-19,27H2,1-3H3,(H,28,33)/t22-/m1/s1
InChIKeyJUXMZLORUUNNIS-JOCHJYFZSA-N
XLogP1.95
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.68
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11606910
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CID 11342097
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide (CID 10006735) is 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1.
What is the InChIKey of 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide?
The InChIKey is JUXMZLORUUNNIS-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H37N5O4S/c1-26(2,27)25(33)28-22(14-9-12-20-10-5-4-6-11-20)24(32)31-18-16-30(17-19-31)23-15-8-7-13-21(23)29-36(3,34)35/h4-8,10-11,13,15,22,29H,9,12,14,16-19,27H2,1-3H3,(H,28,33)/t22-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide?
2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide has a molecular weight of 515.68 g/mol, XLogP of 1.95, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 10006735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).