N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C16H19N3O3S2 — CID 55981281

IUPACN-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CSCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S2/c1-2-24(21,22)19-15-7-5-14(6-8-15)18-16(20)12-23-11-13-4-3-9-17-10-13/h3-10,19H,2,11-12H2,1H3,(H,18,20)
InChIKeyFLGVRLWUQLHIEG-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.72
Rot. Bonds8

About N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 55981281) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID55981281
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CSCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S2/c1-2-24(21,22)19-15-7-5-14(6-8-15)18-16(20)12-23-11-13-4-3-9-17-10-13/h3-10,19H,2,11-12H2,1H3,(H,18,20)
InChIKeyFLGVRLWUQLHIEG-UHFFFAOYSA-N
XLogP2.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166227163
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166190460
N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667339
methyl 2-chloro-5-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55671008
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55960984
N-[4-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide
CID 1432749
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 75434522
N-[(1R,2R)-2-methylcyclopropyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 95702548

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 55981281) is N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)CSCc2cccnc2)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is FLGVRLWUQLHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-2-24(21,22)19-15-7-5-14(6-8-15)18-16(20)12-23-11-13-4-3-9-17-10-13/h3-10,19H,2,11-12H2,1H3,(H,18,20).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55981281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).