N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide

C21H23N3O5S — CID 3869493

IUPACN-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H23N3O5S/c1-15(25)22-18-6-3-5-17(14-18)21(27)24-12-4-11-23(24)20(26)13-16-7-9-19(10-8-16)30(2,28)29/h3,5-10,14H,4,11-13H2,1-2H3,(H,22,25)
InChIKeyCIIFCXVFPJNXIE-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.88
Rot. Bonds5

About N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide

N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide (PubChem CID 3869493) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide
PubChem CID3869493
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H23N3O5S/c1-15(25)22-18-6-3-5-17(14-18)21(27)24-12-4-11-23(24)20(26)13-16-7-9-19(10-8-16)30(2,28)29/h3,5-10,14H,4,11-13H2,1-2H3,(H,22,25)
InChIKeyCIIFCXVFPJNXIE-UHFFFAOYSA-N
XLogP1.88
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(6-chloropyridine-3-carbonyl)pyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 3845276
N-(2-methylpropyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide
CID 3853711
prop-2-enyl 2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carboxylate
CID 3709333
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
N-[3-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806834
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-[3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 17391677
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55748941
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide (CID 3869493) is N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is CIIFCXVFPJNXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-15(25)22-18-6-3-5-17(14-18)21(27)24-12-4-11-23(24)20(26)13-16-7-9-19(10-8-16)30(2,28)29/h3,5-10,14H,4,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide?
N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 3869493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).