5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one

C20H25N3O4S — CID 7595013

IUPAC5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1C
InChIInChI=1S/C20H25N3O4S/c1-13-11-14(2)16(4)19(15(13)3)28(26,27)23-9-7-22(8-10-23)20(25)17-5-6-18(24)21-12-17/h5-6,11-12H,7-10H2,1-4H3,(H,21,24)
InChIKeyPOFQRBLIOPTNPH-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.76
Rot. Bonds3

About 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 7595013) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID7595013
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1C
InChIInChI=1S/C20H25N3O4S/c1-13-11-14(2)16(4)19(15(13)3)28(26,27)23-9-7-22(8-10-23)20(25)17-5-6-18(24)21-12-17/h5-6,11-12H,7-10H2,1-4H3,(H,21,24)
InChIKeyPOFQRBLIOPTNPH-UHFFFAOYSA-N
XLogP1.76
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
(3,4-diethoxyphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674291
(2-chloro-4-pyridinyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 32695876
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594
5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 136514431
[4-(dimethylamino)-3-nitrophenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869217
4-ethyl-7-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinoxaline-2,3-dione
CID 38072730
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
1-[5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 46651338
1-[5-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 24616425
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46482939
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one (CID 7595013) is 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1C.
What is the InChIKey of 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is POFQRBLIOPTNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-11-14(2)16(4)19(15(13)3)28(26,27)23-9-7-22(8-10-23)20(25)17-5-6-18(24)21-12-17/h5-6,11-12H,7-10H2,1-4H3,(H,21,24).
What are the key properties of 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 403.50 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 7595013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).