1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone

C23H31N3O3S — CID 56538250

IUPAC1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-3-24(4-2)22(21-13-9-6-10-14-21)23(27)25-15-17-26(18-16-25)30(28,29)19-20-11-7-5-8-12-20/h5-14,22H,3-4,15-19H2,1-2H3
InChIKeyUZTVNPVQIAIESD-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.74
Rot. Bonds8

About 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone

1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone (PubChem CID 56538250) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
PubChem CID56538250
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-3-24(4-2)22(21-13-9-6-10-14-21)23(27)25-15-17-26(18-16-25)30(28,29)19-20-11-7-5-8-12-20/h5-14,22H,3-4,15-19H2,1-2H3
InChIKeyUZTVNPVQIAIESD-UHFFFAOYSA-N
XLogP2.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 56540726
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
1-(4-benzylsulfonylpiperazin-1-yl)-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]ethanone
CID 55838311
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
2-(4-benzylsulfonylpiperazin-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24654199
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
(2S)-2-amino-1-(4-benzylsulfonylpiperazin-1-yl)-4-methylsulfanylbutan-1-one
CID 119270041
2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide
CID 55410721

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone?
The IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone (CID 56538250) is 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone.
What is the SMILES notation for 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone?
The canonical SMILES for 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone is CCN(CC)C(C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone?
The InChIKey is UZTVNPVQIAIESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-24(4-2)22(21-13-9-6-10-14-21)23(27)25-15-17-26(18-16-25)30(28,29)19-20-11-7-5-8-12-20/h5-14,22H,3-4,15-19H2,1-2H3.
What are the key properties of 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone?
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone has a molecular weight of 429.59 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone is sourced from PubChem (CID 56538250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).