N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide

C17H23F2N3O3S — CID 8771590

IUPACN-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C1CC1
InChIInChI=1S/C17H23F2N3O3S/c1-12(13-2-3-13)20-17(23)11-21-6-8-22(9-7-21)26(24,25)16-5-4-14(18)10-15(16)19/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyDXZXUDWLENBBMA-GFCCVEGCSA-N
MW387.45 g/mol
LogP1.19
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8771590) has the molecular formula C17H23F2N3O3S and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8771590
Molecular FormulaC17H23F2N3O3S
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C1CC1
InChIInChI=1S/C17H23F2N3O3S/c1-12(13-2-3-13)20-17(23)11-21-6-8-22(9-7-21)26(24,25)16-5-4-14(18)10-15(16)19/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyDXZXUDWLENBBMA-GFCCVEGCSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417
N-(1-cyclopropylethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411673
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8771395
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771474
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
tert-butyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 8771407
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 8771590) is N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is DXZXUDWLENBBMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23F2N3O3S/c1-12(13-2-3-13)20-17(23)11-21-6-8-22(9-7-21)26(24,25)16-5-4-14(18)10-15(16)19/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 387.45 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8771590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).