2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

C23H29N3O4S — CID 55756331

IUPAC2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-18(2)24-22(27)16-25-12-14-26(15-13-25)23(28)20-10-8-19(9-11-20)17-31(29,30)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyNOBDIABOOHVXKH-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.94
Rot. Bonds7

About 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 55756331) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID55756331
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-18(2)24-22(27)16-25-12-14-26(15-13-25)23(28)20-10-8-19(9-11-20)17-31(29,30)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyNOBDIABOOHVXKH-UHFFFAOYSA-N
XLogP1.94
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18268795
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
[4-(benzenesulfonylmethyl)phenyl]-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 55956232
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
(3-anilinopyrrolidin-1-yl)-[4-(benzenesulfonylmethyl)phenyl]methanone
CID 56502676
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
2-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55369316
2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519631
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 55756331) is 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NOBDIABOOHVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-18(2)24-22(27)16-25-12-14-26(15-13-25)23(28)20-10-8-19(9-11-20)17-31(29,30)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 443.57 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55756331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).