2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide

C16H19F2N3O4S — CID 53195620

IUPAC2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNS(=O)(=O)c2ccc(F)cc2F)oc1C
InChIInChI=1S/C16H19F2N3O4S/c1-4-21(5-2)16(22)15-10(3)25-14(20-15)9-19-26(23,24)13-7-6-11(17)8-12(13)18/h6-8,19H,4-5,9H2,1-3H3
InChIKeyFLVCDAULLQBTCD-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.22
Rot. Bonds7

About 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide

2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 53195620) has the molecular formula C16H19F2N3O4S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID53195620
Molecular FormulaC16H19F2N3O4S
Molecular Weight387.41 g/mol
Exact Mass387.11
IUPAC Name2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNS(=O)(=O)c2ccc(F)cc2F)oc1C
InChIInChI=1S/C16H19F2N3O4S/c1-4-21(5-2)16(22)15-10(3)25-14(20-15)9-19-26(23,24)13-7-6-11(17)8-12(13)18/h6-8,19H,4-5,9H2,1-3H3
InChIKeyFLVCDAULLQBTCD-UHFFFAOYSA-N
XLogP2.22
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide (CID 53195620) is 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1nc(CNS(=O)(=O)c2ccc(F)cc2F)oc1C.
What is the InChIKey of 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FLVCDAULLQBTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O4S/c1-4-21(5-2)16(22)15-10(3)25-14(20-15)9-19-26(23,24)13-7-6-11(17)8-12(13)18/h6-8,19H,4-5,9H2,1-3H3.
What are the key properties of 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).