N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide

C15H21FN2O3S — CID 84598986

IUPACN-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide
SMILESCC(NCC(=O)N(C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(17-9-15(19)18(2)12-5-6-12)11-4-7-14(13(16)8-11)22(3,20)21/h4,7-8,10,12,17H,5-6,9H2,1-3H3
InChIKeyNGGLLKTTZFLVNR-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.50
Rot. Bonds6

About N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide

N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide (PubChem CID 84598986) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide
PubChem CID84598986
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide
SMILESCC(NCC(=O)N(C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(17-9-15(19)18(2)12-5-6-12)11-4-7-14(13(16)8-11)22(3,20)21/h4,7-8,10,12,17H,5-6,9H2,1-3H3
InChIKeyNGGLLKTTZFLVNR-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-methyl-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 99820860
N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81370950
4-[1-(3-fluoro-4-methylsulfonylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673846
1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea
CID 71990646
N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532
3,3-diethoxy-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propanamide
CID 102562820
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrazolidine-3-carboxamide
CID 134068376
N-cyclopropyl-N-ethyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347384
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]butanamide;hydrochloride
CID 119801244
N-cyclopropyl-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643192
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide
CID 119333652

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide (CID 84598986) is N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide is CC(NCC(=O)N(C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide?
The InChIKey is NGGLLKTTZFLVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-10(17-9-15(19)18(2)12-5-6-12)11-4-7-14(13(16)8-11)22(3,20)21/h4,7-8,10,12,17H,5-6,9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide?
N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide has a molecular weight of 328.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 84598986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).