N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C17H19F2N3O4S2 — CID 4818683

IUPACN-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H19F2N3O4S2/c18-17(19)26-14-5-3-13(4-6-14)20-15(23)12-21-7-9-22(10-8-21)28(24,25)16-2-1-11-27-16/h1-6,11,17H,7-10,12H2,(H,20,23)
InChIKeyKTPPCZHIFIIBFM-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.29
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 4818683) has the molecular formula C17H19F2N3O4S2 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID4818683
Molecular FormulaC17H19F2N3O4S2
Molecular Weight431.49 g/mol
Exact Mass431.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H19F2N3O4S2/c18-17(19)26-14-5-3-13(4-6-14)20-15(23)12-21-7-9-22(10-8-21)28(24,25)16-2-1-11-27-16/h1-6,11,17H,7-10,12H2,(H,20,23)
InChIKeyKTPPCZHIFIIBFM-UHFFFAOYSA-N
XLogP2.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 3720770
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 27194088
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 3514819
[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19515178
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2397969
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 7941191
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 4818683) is N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is KTPPCZHIFIIBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4S2/c18-17(19)26-14-5-3-13(4-6-14)20-15(23)12-21-7-9-22(10-8-21)28(24,25)16-2-1-11-27-16/h1-6,11,17H,7-10,12H2,(H,20,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 431.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4818683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).