2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide

C17H18ClF2N3O4S2 — CID 39745188

IUPAC2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H18ClF2N3O4S2/c18-14-5-6-16(28-14)29(25,26)23-9-7-22(8-10-23)11-15(24)21-12-3-1-2-4-13(12)27-17(19)20/h1-6,17H,7-11H2,(H,21,24)
InChIKeyBZRDUPCRURUVKT-UHFFFAOYSA-N
MW465.93 g/mol
LogP2.95
Rot. Bonds7

About 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 39745188) has the molecular formula C17H18ClF2N3O4S2 and a molecular weight of 465.93 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID39745188
Molecular FormulaC17H18ClF2N3O4S2
Molecular Weight465.93 g/mol
Exact Mass465.04
IUPAC Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H18ClF2N3O4S2/c18-14-5-6-16(28-14)29(25,26)23-9-7-22(8-10-23)11-15(24)21-12-3-1-2-4-13(12)27-17(19)20/h1-6,17H,7-11H2,(H,21,24)
InChIKeyBZRDUPCRURUVKT-UHFFFAOYSA-N
XLogP2.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.93
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 51159910
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805
methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9304423
4-[2-(2-chloroanilino)-2-oxoethyl]-N-[2-(difluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 74224697
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 9304443
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 55565889
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
N-[2-(difluoromethoxy)phenyl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47534873
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824972
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9304405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 39745188) is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is BZRDUPCRURUVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N3O4S2/c18-14-5-6-16(28-14)29(25,26)23-9-7-22(8-10-23)11-15(24)21-12-3-1-2-4-13(12)27-17(19)20/h1-6,17H,7-11H2,(H,21,24).
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 465.93 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 39745188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).