N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C13H17F3N2O4S — CID 27648395

IUPACN-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-9(2)18-12(19)7-8-17-23(20,21)11-5-3-10(4-6-11)22-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyGLIXFFQRTSTFAN-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.78
Rot. Bonds7

About N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 27648395) has the molecular formula C13H17F3N2O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID27648395
Molecular FormulaC13H17F3N2O4S
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC NameN-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-9(2)18-12(19)7-8-17-23(20,21)11-5-3-10(4-6-11)22-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyGLIXFFQRTSTFAN-UHFFFAOYSA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 97088140
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 119586355
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55949741
N-[2-(3-methylpiperidin-1-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55723188
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 27648395) is N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is CC(C)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is GLIXFFQRTSTFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O4S/c1-9(2)18-12(19)7-8-17-23(20,21)11-5-3-10(4-6-11)22-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 354.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 27648395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).