N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide

C16H19N3O3S2 — CID 46388143

IUPACN-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)CC)cc2)nc1
InChIInChI=1S/C16H19N3O3S2/c1-3-17-16(20)12-5-10-15(18-11-12)23-14-8-6-13(7-9-14)19-24(21,22)4-2/h5-11,19H,3-4H2,1-2H3,(H,17,20)
InChIKeyASIVSXBKWXFDSW-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.74
Rot. Bonds7

About N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide

N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide (PubChem CID 46388143) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
PubChem CID46388143
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)CC)cc2)nc1
InChIInChI=1S/C16H19N3O3S2/c1-3-17-16(20)12-5-10-15(18-11-12)23-14-8-6-13(7-9-14)19-24(21,22)4-2/h5-11,19H,3-4H2,1-2H3,(H,17,20)
InChIKeyASIVSXBKWXFDSW-UHFFFAOYSA-N
XLogP2.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 92883059
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
CID 46388152
6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388193
6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 46388212
N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388101
N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388221
N-butan-2-yl-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388104
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388198
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide (CID 46388143) is N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide is CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)CC)cc2)nc1.
What is the InChIKey of N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
The InChIKey is ASIVSXBKWXFDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-3-17-16(20)12-5-10-15(18-11-12)23-14-8-6-13(7-9-14)19-24(21,22)4-2/h5-11,19H,3-4H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46388143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).