2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C17H25N3O4S — CID 6457026

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13-3-5-15(6-4-13)25(23,24)19-11-16(21)18-12-17(22)20-9-7-14(2)8-10-20/h3-6,14,19H,7-12H2,1-2H3,(H,18,21)
InChIKeyHKEJBVGCTFADRD-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.65
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 6457026) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID6457026
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13-3-5-15(6-4-13)25(23,24)19-11-16(21)18-12-17(22)20-9-7-14(2)8-10-20/h3-6,14,19H,7-12H2,1-2H3,(H,18,21)
InChIKeyHKEJBVGCTFADRD-UHFFFAOYSA-N
XLogP0.65
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 24554008
2-[(4-methylphenyl)sulfonylamino]-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 24536331
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 24550797
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24660116
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazole-6-sulfonamide
CID 3239139
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1072533

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 6457026) is 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is HKEJBVGCTFADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-3-5-15(6-4-13)25(23,24)19-11-16(21)18-12-17(22)20-9-7-14(2)8-10-20/h3-6,14,19H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 0.65, 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-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 6457026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).