6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide

C22H23N3O3S2 — CID 46388152

IUPAC6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1
InChIInChI=1S/C22H23N3O3S2/c1-4-23-22(26)17-6-12-21(24-14-17)29-19-9-7-18(8-10-19)25-30(27,28)20-11-5-15(2)16(3)13-20/h5-14,25H,4H2,1-3H3,(H,23,26)
InChIKeyBPIWYSMOQYDZRF-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.40
Rot. Bonds7

About 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide

6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide (PubChem CID 46388152) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
PubChem CID46388152
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1
InChIInChI=1S/C22H23N3O3S2/c1-4-23-22(26)17-6-12-21(24-14-17)29-19-9-7-18(8-10-19)25-30(27,28)20-11-5-15(2)16(3)13-20/h5-14,25H,4H2,1-3H3,(H,23,26)
InChIKeyBPIWYSMOQYDZRF-UHFFFAOYSA-N
XLogP4.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388101
6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 46388212
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-[(4-methoxyphenyl)sulfonylamino]phenyl]sulfanyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46388064
6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388193
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 92883059
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 9068493
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388198

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide (CID 46388152) is 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1.
What is the InChIKey of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide?
The InChIKey is BPIWYSMOQYDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-4-23-22(26)17-6-12-21(24-14-17)29-19-9-7-18(8-10-19)25-30(27,28)20-11-5-15(2)16(3)13-20/h5-14,25H,4H2,1-3H3,(H,23,26).
What are the key properties of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide?
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 46388152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).