(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide

C19H25N3O3S — CID 110348925

IUPAC(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C19H25N3O3S/c1-15(2)18(19(23)21-14-17-9-6-11-20-13-17)22-26(24,25)12-10-16-7-4-3-5-8-16/h3-9,11,13,15,18,22H,10,12,14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyPLCPDVYNEPFIDO-SFHVURJKSA-N
MW375.49 g/mol
LogP1.88
Rot. Bonds9

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

(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110348925) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110348925
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C19H25N3O3S/c1-15(2)18(19(23)21-14-17-9-6-11-20-13-17)22-26(24,25)12-10-16-7-4-3-5-8-16/h3-9,11,13,15,18,22H,10,12,14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyPLCPDVYNEPFIDO-SFHVURJKSA-N
XLogP1.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
CID 110351555
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899
(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
CID 110348930
(2S)-2-[(2-chlorophenyl)sulfonylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348931
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351535
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide (CID 110348925) is (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide is CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is PLCPDVYNEPFIDO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15(2)18(19(23)21-14-17-9-6-11-20-13-17)22-26(24,25)12-10-16-7-4-3-5-8-16/h3-9,11,13,15,18,22H,10,12,14H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide?
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 375.49 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110348925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).