2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide

C19H24ClN3O3S2 — CID 55365337

IUPAC2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C19H24ClN3O3S2/c1-15(16-6-4-3-5-7-16)21(2)18(24)14-22-10-12-23(13-11-22)28(25,26)19-9-8-17(20)27-19/h3-9,15H,10-14H2,1-2H3
InChIKeyNCHAYEYQFUWTPQ-UHFFFAOYSA-N
MW442.01 g/mol
LogP2.93
Rot. Bonds6

About 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 55365337) has the molecular formula C19H24ClN3O3S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID55365337
Molecular FormulaC19H24ClN3O3S2
Molecular Weight442.01 g/mol
Exact Mass441.09
IUPAC Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C19H24ClN3O3S2/c1-15(16-6-4-3-5-7-16)21(2)18(24)14-22-10-12-23(13-11-22)28(25,26)19-9-8-17(20)27-19/h3-9,15H,10-14H2,1-2H3
InChIKeyNCHAYEYQFUWTPQ-UHFFFAOYSA-N
XLogP2.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46560526
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 41202197
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9304405
methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9304423
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-[(1R)-1-phenylethyl]urea
CID 41191153
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide (CID 55365337) is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is NCHAYEYQFUWTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S2/c1-15(16-6-4-3-5-7-16)21(2)18(24)14-22-10-12-23(13-11-22)28(25,26)19-9-8-17(20)27-19/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 442.01 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 55365337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).