2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide

C25H29N3O4S2 — CID 55957642

IUPAC2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-19-6-12-23(13-7-19)34(30,31)28-24(14-16-33-2)25(29)27-17-20-8-10-22(11-9-20)32-18-21-5-3-4-15-26-21/h3-13,15,24,28H,14,16-18H2,1-2H3,(H,27,29)
InChIKeyDCGOJBWQXMJGPK-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.69
Rot. Bonds12

About 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide

2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide (PubChem CID 55957642) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
PubChem CID55957642
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-19-6-12-23(13-7-19)34(30,31)28-24(14-16-33-2)25(29)27-17-20-8-10-22(11-9-20)32-18-21-5-3-4-15-26-21/h3-13,15,24,28H,14,16-18H2,1-2H3,(H,27,29)
InChIKeyDCGOJBWQXMJGPK-UHFFFAOYSA-N
XLogP3.69
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide with MolForge

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide
CID 46475756
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
N-methyl-4-[[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]methyl]-N-propan-2-ylbenzamide
CID 55618959
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46673518
N-methyl-3-[[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]methyl]benzamide
CID 55587299
N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide
CID 46651971
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
(2R)-3-methyl-2-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
CID 57390232
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55940395
4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 87032975
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 24575316

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide (CID 55957642) is 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide is CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The InChIKey is DCGOJBWQXMJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-19-6-12-23(13-7-19)34(30,31)28-24(14-16-33-2)25(29)27-17-20-8-10-22(11-9-20)32-18-21-5-3-4-15-26-21/h3-13,15,24,28H,14,16-18H2,1-2H3,(H,27,29).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide has a molecular weight of 499.66 g/mol, XLogP of 3.69, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 55957642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).