(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide

C20H27N3O3S — CID 110351555

IUPAC(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C20H27N3O3S/c1-16(2)13-19(20(24)22-15-18-9-6-11-21-14-18)23-27(25,26)12-10-17-7-4-3-5-8-17/h3-9,11,14,16,19,23H,10,12-13,15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyDSVSLXSICFXSMV-IBGZPJMESA-N
MW389.52 g/mol
LogP2.27
Rot. Bonds10

About (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide

(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 110351555) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID110351555
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C20H27N3O3S/c1-16(2)13-19(20(24)22-15-18-9-6-11-21-14-18)23-27(25,26)12-10-17-7-4-3-5-8-17/h3-9,11,14,16,19,23H,10,12-13,15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyDSVSLXSICFXSMV-IBGZPJMESA-N
XLogP2.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351535
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351478
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide (CID 110351555) is (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide is CC(C)C[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is DSVSLXSICFXSMV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16(2)13-19(20(24)22-15-18-9-6-11-21-14-18)23-27(25,26)12-10-17-7-4-3-5-8-17/h3-9,11,14,16,19,23H,10,12-13,15H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide?
(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 389.52 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 110351555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).