2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C21H20ClN3O5S2 — CID 95088436

IUPAC2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C21H20ClN3O5S2/c22-18-8-9-19(31-18)32(27,28)25-14-4-1-5-15(12-14)30-21-17(7-2-10-23-21)20(26)24-13-16-6-3-11-29-16/h1-2,4-5,7-10,12,16,25H,3,6,11,13H2,(H,24,26)/t16-/m0/s1
InChIKeyPTAWSWJROTVXEC-INIZCTEOSA-N
MW493.99 g/mol
LogP4.30
Rot. Bonds8

About 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 95088436) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID95088436
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC Name2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C21H20ClN3O5S2/c22-18-8-9-19(31-18)32(27,28)25-14-4-1-5-15(12-14)30-21-17(7-2-10-23-21)20(26)24-13-16-6-3-11-29-16/h1-2,4-5,7-10,12,16,25H,3,6,11,13H2,(H,24,26)/t16-/m0/s1
InChIKeyPTAWSWJROTVXEC-INIZCTEOSA-N
XLogP4.30
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088432
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088433
2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088438
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491121
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 95088436) is 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is PTAWSWJROTVXEC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c22-18-8-9-19(31-18)32(27,28)25-14-4-1-5-15(12-14)30-21-17(7-2-10-23-21)20(26)24-13-16-6-3-11-29-16/h1-2,4-5,7-10,12,16,25H,3,6,11,13H2,(H,24,26)/t16-/m0/s1.
What are the key properties of 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 493.99 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95088436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).