N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C16H18F3N3O4S — CID 5046108

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCc1cc(NC(=O)CN(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H18F3N3O4S/c1-10(2)22(9-15(23)20-14-7-11(3)26-21-14)27(24,25)13-6-4-5-12(8-13)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,21,23)
InChIKeyKBDTVJOJMLAXDT-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.04
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 5046108) has the molecular formula C16H18F3N3O4S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID5046108
Molecular FormulaC16H18F3N3O4S
Molecular Weight405.40 g/mol
Exact Mass405.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCc1cc(NC(=O)CN(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H18F3N3O4S/c1-10(2)22(9-15(23)20-14-7-11(3)26-21-14)27(24,25)13-6-4-5-12(8-13)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,21,23)
InChIKeyKBDTVJOJMLAXDT-UHFFFAOYSA-N
XLogP3.04
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 5046108) is N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is Cc1cc(NC(=O)CN(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is KBDTVJOJMLAXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4S/c1-10(2)22(9-15(23)20-14-7-11(3)26-21-14)27(24,25)13-6-4-5-12(8-13)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,21,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 405.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 5046108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).