2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide

C19H27N5O3S — CID 17024192

IUPAC2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(C)n1
InChIInChI=1S/C19H27N5O3S/c1-4-23-13-18(16(3)21-23)28(26,27)24-11-9-22(10-12-24)14-19(25)20-17-7-5-15(2)6-8-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,20,25)
InChIKeyHQCKOHGKMOLQCC-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.46
Rot. Bonds6

About 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 17024192) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID17024192
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(C)n1
InChIInChI=1S/C19H27N5O3S/c1-4-23-13-18(16(3)21-23)28(26,27)24-11-9-22(10-12-24)14-19(25)20-17-7-5-15(2)6-8-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,20,25)
InChIKeyHQCKOHGKMOLQCC-UHFFFAOYSA-N
XLogP1.46
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17301236
N-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1178330
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 17024192) is 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide is CCn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(C)n1.
What is the InChIKey of 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is HQCKOHGKMOLQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-4-23-13-18(16(3)21-23)28(26,27)24-11-9-22(10-12-24)14-19(25)20-17-7-5-15(2)6-8-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,20,25).
What are the key properties of 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 17024192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).