(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide

C19H23N3O3S — CID 9362383

IUPAC(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C19H23N3O3S/c1-15(2)18(19(23)21-14-17-10-6-7-12-20-17)22-26(24,25)13-11-16-8-4-3-5-9-16/h3-13,15,18,22H,14H2,1-2H3,(H,21,23)/b13-11+/t18-/m1/s1
InChIKeyOUDLILPLISNDPX-IYPOZPNPSA-N
MW373.48 g/mol
LogP2.31
Rot. Bonds8

About (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide

(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 9362383) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide
PubChem CID9362383
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C19H23N3O3S/c1-15(2)18(19(23)21-14-17-10-6-7-12-20-17)22-26(24,25)13-11-16-8-4-3-5-9-16/h3-13,15,18,22H,14H2,1-2H3,(H,21,23)/b13-11+/t18-/m1/s1
InChIKeyOUDLILPLISNDPX-IYPOZPNPSA-N
XLogP2.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide with MolForge

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Related Compounds

(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
N-(3-butoxypropyl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 42910795
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
(2R)-2-(methanesulfonamido)-4-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 94033690
3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 17474218
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 9206028
(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
CID 17461555
(2S,3S,4S,5R)-3,4-dihydroxy-N,N'-bis[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
CID 46936794
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
1-oxo-1-(pyridin-2-ylmethylamino)butane-2-sulfonic acid
CID 142553634
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide (CID 9362383) is (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide is CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is OUDLILPLISNDPX-IYPOZPNPSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15(2)18(19(23)21-14-17-10-6-7-12-20-17)22-26(24,25)13-11-16-8-4-3-5-9-16/h3-13,15,18,22H,14H2,1-2H3,(H,21,23)/b13-11+/t18-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide?
(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 373.48 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 9362383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).