N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide

C17H25F2N3O3S — CID 124828269

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2N3O3S/c1-12(15-7-6-13(18)9-16(15)19)21-17(23)11-22-8-4-3-5-14(22)10-20-26(2,24)25/h6-7,9,12,14,20H,3-5,8,10-11H2,1-2H3,(H,21,23)/t12-,14+/m1/s1
InChIKeyILGCSIDOVBBDCE-OCCSQVGLSA-N
MW389.47 g/mol
LogP1.55
Rot. Bonds7

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide (PubChem CID 124828269) has the molecular formula C17H25F2N3O3S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
PubChem CID124828269
Molecular FormulaC17H25F2N3O3S
Molecular Weight389.47 g/mol
Exact Mass389.16
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2N3O3S/c1-12(15-7-6-13(18)9-16(15)19)21-17(23)11-22-8-4-3-5-14(22)10-20-26(2,24)25/h6-7,9,12,14,20H,3-5,8,10-11H2,1-2H3,(H,21,23)/t12-,14+/m1/s1
InChIKeyILGCSIDOVBBDCE-OCCSQVGLSA-N
XLogP1.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86920986
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
CID 95154417
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 98716008
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 11936885
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 112763791
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8555153
1-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8557038
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide (CID 124828269) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide is C[C@@H](NC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The InChIKey is ILGCSIDOVBBDCE-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H25F2N3O3S/c1-12(15-7-6-13(18)9-16(15)19)21-17(23)11-22-8-4-3-5-14(22)10-20-26(2,24)25/h6-7,9,12,14,20H,3-5,8,10-11H2,1-2H3,(H,21,23)/t12-,14+/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide has a molecular weight of 389.47 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 124828269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).