2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C16H23N3O4S — CID 9035264

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-5-7-14(8-6-13)24(22,23)18-11-15(20)17-12-16(21)19-9-3-2-4-10-19/h5-8,18H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyKSJGUDOUUYXPCZ-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.40
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 9035264) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID9035264
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-5-7-14(8-6-13)24(22,23)18-11-15(20)17-12-16(21)19-9-3-2-4-10-19/h5-8,18H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyKSJGUDOUUYXPCZ-UHFFFAOYSA-N
XLogP0.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
2-[(4-methylphenyl)sulfonylamino]-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 24536331
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 24550797
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 46532913
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide
CID 71384387
ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 24554008

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 9035264) is 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is KSJGUDOUUYXPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13-5-7-14(8-6-13)24(22,23)18-11-15(20)17-12-16(21)19-9-3-2-4-10-19/h5-8,18H,2-4,9-12H2,1H3,(H,17,20).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 9035264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).