2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide

C21H26N4O3S2 — CID 20647091

IUPAC2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide
SMILESCc1coc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C21H26N4O3S2/c1-14-12-28-15(2)20(14)30(26,27)25-17-8-6-16(7-9-17)11-23-21-24-19(13-29-21)18-5-3-4-10-22-18/h3-5,10,12-13,16-17,25H,6-9,11H2,1-2H3,(H,23,24)
InChIKeySORJNONBZUNBTG-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.36
Rot. Bonds7

About 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide

2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide (PubChem CID 20647091) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide
PubChem CID20647091
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC Name2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide
SMILESCc1coc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C21H26N4O3S2/c1-14-12-28-15(2)20(14)30(26,27)25-17-8-6-16(7-9-17)11-23-21-24-19(13-29-21)18-5-3-4-10-22-18/h3-5,10,12-13,16-17,25H,6-9,11H2,1-2H3,(H,23,24)
InChIKeySORJNONBZUNBTG-UHFFFAOYSA-N
XLogP4.36
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide with MolForge

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Related Compounds

2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
CID 20647101
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342
(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 2406282
4-(4-methoxyphenylsulfonamido)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16759187
N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53319343
N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 53321939
ethyl (E)-2-[4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]butoxy]phenyl]ethenesulfonate
CID 70697358
3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 70789477
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789512
6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 155569007
N-[2-fluoro-5-[5-[2-(2-methylsulfonylethylamino)pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]furan-2-sulfonamide
CID 57989623
N-[2-fluoro-5-[5-[2-(3-methylsulfonylpropylamino)pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]furan-2-sulfonamide
CID 57989649

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide (CID 20647091) is 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide is Cc1coc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide?
The InChIKey is SORJNONBZUNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-14-12-28-15(2)20(14)30(26,27)25-17-8-6-16(7-9-17)11-23-21-24-19(13-29-21)18-5-3-4-10-22-18/h3-5,10,12-13,16-17,25H,6-9,11H2,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide?
2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide has a molecular weight of 446.60 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide is sourced from PubChem (CID 20647091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).