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

C18H21F3N2O4S — CID 56549011

IUPACN-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCc1ccc(CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)o1
InChIInChI=1S/C18H21F3N2O4S/c1-12(2)23(11-15-8-7-13(3)27-15)17(24)10-22-28(25,26)16-6-4-5-14(9-16)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3
InChIKeyUTEICRCLDDARKP-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.32
Rot. Bonds7

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

N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56549011) has the molecular formula C18H21F3N2O4S and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56549011
Molecular FormulaC18H21F3N2O4S
Molecular Weight418.44 g/mol
Exact Mass418.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCc1ccc(CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)o1
InChIInChI=1S/C18H21F3N2O4S/c1-12(2)23(11-15-8-7-13(3)27-15)17(24)10-22-28(25,26)16-6-4-5-14(9-16)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3
InChIKeyUTEICRCLDDARKP-UHFFFAOYSA-N
XLogP3.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide with MolForge

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Related Compounds

2-[butan-2-yl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetic acid
CID 119954511
3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119169773
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4131943
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
N-[(4-bromophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55328980
N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119660989
methyl 3-[2-methylpropyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanoate
CID 56549141
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
tert-butyl 2-[methyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetate
CID 56548130
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545933
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56549011) is N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is Cc1ccc(CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is UTEICRCLDDARKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4S/c1-12(2)23(11-15-8-7-13(3)27-15)17(24)10-22-28(25,26)16-6-4-5-14(9-16)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 418.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56549011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).