2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H17ClFN3O4S — CID 2544317

IUPAC2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C19H17ClFN3O4S/c1-13-10-18(23-28-13)22-19(25)12-24(11-14-6-2-3-7-15(14)20)29(26,27)17-9-5-4-8-16(17)21/h2-10H,11-12H2,1H3,(H,22,23,25)
InChIKeyCTRUXXGWSJATMS-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.61
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2544317) has the molecular formula C19H17ClFN3O4S and a molecular weight of 437.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2544317
Molecular FormulaC19H17ClFN3O4S
Molecular Weight437.88 g/mol
Exact Mass437.06
IUPAC Name2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C19H17ClFN3O4S/c1-13-10-18(23-28-13)22-19(25)12-24(11-14-6-2-3-7-15(14)20)29(26,27)17-9-5-4-8-16(17)21/h2-10H,11-12H2,1H3,(H,22,23,25)
InChIKeyCTRUXXGWSJATMS-UHFFFAOYSA-N
XLogP3.61
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2521899
(2E)-3-(3-chlorophenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}prop-2-enamide
CID 1312289
2-[(4-acetamidophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2468579
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2533222
2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 53255428
2-(4-chloro-3-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 53255430
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 16291737
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide
CID 3950427
N'-[(4-chlorophenyl)sulfonyl]-4-fluoro-N-(5-methylisoxazol-3-yl)benzenecarboximidamide
CID 5883351
(2E)-3-(2-chlorophenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}prop-2-enamide
CID 1187340
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979010
(2E)-3-(2-chloro-6-fluorophenyl)-N-(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl} phenyl)prop-2-enamide
CID 1293953

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2544317) is 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)no1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CTRUXXGWSJATMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O4S/c1-13-10-18(23-28-13)22-19(25)12-24(11-14-6-2-3-7-15(14)20)29(26,27)17-9-5-4-8-16(17)21/h2-10H,11-12H2,1H3,(H,22,23,25).
What are the key properties of 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 437.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2544317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).