N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C16H17F2N3O3S2 — CID 24680339

IUPACN-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O3S2/c17-12-8-13(18)10-14(9-12)19-15(22)11-20-3-5-21(6-4-20)26(23,24)16-2-1-7-25-16/h1-2,7-10H,3-6,11H2,(H,19,22)
InChIKeyRPWPKVIAJXBLJP-UHFFFAOYSA-N
MW401.46 g/mol
LogP1.97
Rot. Bonds5

About N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 24680339) has the molecular formula C16H17F2N3O3S2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID24680339
Molecular FormulaC16H17F2N3O3S2
Molecular Weight401.46 g/mol
Exact Mass401.07
IUPAC NameN-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O3S2/c17-12-8-13(18)10-14(9-12)19-15(22)11-20-3-5-21(6-4-20)26(23,24)16-2-1-7-25-16/h1-2,7-10H,3-6,11H2,(H,19,22)
InChIKeyRPWPKVIAJXBLJP-UHFFFAOYSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 3720770
N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 4818683
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 3514819
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2397969
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668
1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366490
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655772

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 24680339) is N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is RPWPKVIAJXBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S2/c17-12-8-13(18)10-14(9-12)19-15(22)11-20-3-5-21(6-4-20)26(23,24)16-2-1-7-25-16/h1-2,7-10H,3-6,11H2,(H,19,22).
What are the key properties of N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 401.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24680339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).