2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide

C20H27N3O4S2 — CID 56569468

IUPAC2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H27N3O4S2/c1-3-29(25,26)23-18(10-12-28-2)20(24)22-14-17-9-11-21-19(13-17)27-15-16-7-5-4-6-8-16/h4-9,11,13,18,23H,3,10,12,14-15H2,1-2H3,(H,22,24)
InChIKeyDYLYTPFNCAAEFY-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.34
Rot. Bonds12

About 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide

2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide (PubChem CID 56569468) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
PubChem CID56569468
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H27N3O4S2/c1-3-29(25,26)23-18(10-12-28-2)20(24)22-14-17-9-11-21-19(13-17)27-15-16-7-5-4-6-8-16/h4-9,11,13,18,23H,3,10,12,14-15H2,1-2H3,(H,22,24)
InChIKeyDYLYTPFNCAAEFY-UHFFFAOYSA-N
XLogP2.34
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide with MolForge

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Related Compounds

2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide
CID 55707207
(2S)-2-(ethylsulfonylamino)-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbutanamide
CID 94825011
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
CID 46475647
2-methyl-1-(4-methylsulfanylbutyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111627151
(2S)-N-benzyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 2598054
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55957642
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide
CID 46475756

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
The IUPAC name of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide (CID 56569468) is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
The InChIKey is DYLYTPFNCAAEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-3-29(25,26)23-18(10-12-28-2)20(24)22-14-17-9-11-21-19(13-17)27-15-16-7-5-4-6-8-16/h4-9,11,13,18,23H,3,10,12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide has a molecular weight of 437.59 g/mol, XLogP of 2.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 56569468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).