2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

C22H30N4O3S — CID 112799962

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H30N4O3S/c1-24(2)21(19-9-5-3-6-10-19)17-23-22(27)18-25-13-15-26(16-14-25)30(28,29)20-11-7-4-8-12-20/h3-12,21H,13-18H2,1-2H3,(H,23,27)
InChIKeyWBIUWSHNXQNSCJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP1.41
Rot. Bonds8

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (PubChem CID 112799962) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
PubChem CID112799962
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H30N4O3S/c1-24(2)21(19-9-5-3-6-10-19)17-23-22(27)18-25-13-15-26(16-14-25)30(28,29)20-11-7-4-8-12-20/h3-12,21H,13-18H2,1-2H3,(H,23,27)
InChIKeyWBIUWSHNXQNSCJ-UHFFFAOYSA-N
XLogP1.41
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 112800026
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112801714
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 99855812
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 6466721
2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 30737553
3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonyl fluoride
CID 166407090
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (CID 112799962) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is CN(C)C(CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The InChIKey is WBIUWSHNXQNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-24(2)21(19-9-5-3-6-10-19)17-23-22(27)18-25-13-15-26(16-14-25)30(28,29)20-11-7-4-8-12-20/h3-12,21H,13-18H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is sourced from PubChem (CID 112799962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).