2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide

C17H20ClN3O3S2 — CID 9304443

IUPAC2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-13-3-2-4-14(11-13)19-16(22)12-20-7-9-21(10-8-20)26(23,24)17-6-5-15(18)25-17/h2-6,11H,7-10,12H2,1H3,(H,19,22)
InChIKeyFUFZNRXCQXWOLO-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 9304443) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID9304443
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-13-3-2-4-14(11-13)19-16(22)12-20-7-9-21(10-8-20)26(23,24)17-6-5-15(18)25-17/h2-6,11H,7-10,12H2,1H3,(H,19,22)
InChIKeyFUFZNRXCQXWOLO-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26390002
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60502079
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824972
methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9304423
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 42913990
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 19259569
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 39745188

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 9304443) is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is FUFZNRXCQXWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-13-3-2-4-14(11-13)19-16(22)12-20-7-9-21(10-8-20)26(23,24)17-6-5-15(18)25-17/h2-6,11H,7-10,12H2,1H3,(H,19,22).
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 413.95 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 9304443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).