N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C15H22F3N3O4S — CID 119586355

IUPACN-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCC(C)CC(CN)NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N3O4S/c1-10(2)7-11(8-19)21-14(22)9-20-26(23,24)13-5-3-12(4-6-13)25-15(16,17)18/h3-6,10-11,20H,7-9,19H2,1-2H3,(H,21,22)
InChIKeyOGTMFJGCJIVSRM-UHFFFAOYSA-N
MW397.42 g/mol
LogP1.35
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 119586355) has the molecular formula C15H22F3N3O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID119586355
Molecular FormulaC15H22F3N3O4S
Molecular Weight397.42 g/mol
Exact Mass397.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCC(C)CC(CN)NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N3O4S/c1-10(2)7-11(8-19)21-14(22)9-20-26(23,24)13-5-3-12(4-6-13)25-15(16,17)18/h3-6,10-11,20H,7-9,19H2,1-2H3,(H,21,22)
InChIKeyOGTMFJGCJIVSRM-UHFFFAOYSA-N
XLogP1.35
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119573275
methyl 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3750303
N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78768135
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 120805043
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
ethyl 3-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoate
CID 2809519

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 119586355) is N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is CC(C)CC(CN)NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is OGTMFJGCJIVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O4S/c1-10(2)7-11(8-19)21-14(22)9-20-26(23,24)13-5-3-12(4-6-13)25-15(16,17)18/h3-6,10-11,20H,7-9,19H2,1-2H3,(H,21,22).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 397.42 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 119586355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).