N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide

C14H17F3N2O4S — CID 15118329

IUPACN-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
SMILESCCC(=O)NC(=O)CN(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-3-12(20)18-13(21)8-19(2)24(22,23)9-10-5-4-6-11(7-10)14(15,16)17/h4-7H,3,8-9H2,1-2H3,(H,18,20,21)
InChIKeyMPBPUMCRYQCODG-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide

N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide (PubChem CID 15118329) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide.

Molecular Properties

Compound NameN-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
PubChem CID15118329
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC NameN-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
SMILESCCC(=O)NC(=O)CN(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-3-12(20)18-13(21)8-19(2)24(22,23)9-10-5-4-6-11(7-10)14(15,16)17/h4-7H,3,8-9H2,1-2H3,(H,18,20,21)
InChIKeyMPBPUMCRYQCODG-UHFFFAOYSA-N
XLogP1.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetate
CID 19837767
N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide
CID 15118336
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 119991751
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118088
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
CID 15118196
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100563559
2-[3-propoxypropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118289
2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
CID 15118197
2-[cyanomethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118474
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 42961420

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide?
The IUPAC name of N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide (CID 15118329) is N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide.
What is the SMILES notation for N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide?
The canonical SMILES for N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide is CCC(=O)NC(=O)CN(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide?
The InChIKey is MPBPUMCRYQCODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-3-12(20)18-13(21)8-19(2)24(22,23)9-10-5-4-6-11(7-10)14(15,16)17/h4-7H,3,8-9H2,1-2H3,(H,18,20,21).
What are the key properties of N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide?
N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide has a molecular weight of 366.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide is sourced from PubChem (CID 15118329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).