N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide

C13H15F3N2O3S2 — CID 47079939

IUPACN-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3S2/c1-18(8-12(19)17-9-2-3-9)23(20,21)11-6-4-10(5-7-11)22-13(14,15)16/h4-7,9H,2-3,8H2,1H3,(H,17,19)
InChIKeyCIJFPZXOPBTORY-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.20
Rot. Bonds6

About N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide

N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide (PubChem CID 47079939) has the molecular formula C13H15F3N2O3S2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
PubChem CID47079939
Molecular FormulaC13H15F3N2O3S2
Molecular Weight368.40 g/mol
Exact Mass368.05
IUPAC NameN-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3S2/c1-18(8-12(19)17-9-2-3-9)23(20,21)11-6-4-10(5-7-11)22-13(14,15)16/h4-7,9H,2-3,8H2,1H3,(H,17,19)
InChIKeyCIJFPZXOPBTORY-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 28536702
tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 124743858
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide (CID 47079939) is N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide?
The InChIKey is CIJFPZXOPBTORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S2/c1-18(8-12(19)17-9-2-3-9)23(20,21)11-6-4-10(5-7-11)22-13(14,15)16/h4-7,9H,2-3,8H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide?
N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide has a molecular weight of 368.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 47079939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).