2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide

C17H24N4O3S — CID 6493535

IUPAC2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N4O3S/c1-3-21(25(23,24)16-7-5-15(2)6-8-16)13-17(22)19-9-4-11-20-12-10-18-14-20/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,19,22)
InChIKeyQXFJCBPXGNXZSR-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.41
Rot. Bonds9

About 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide

2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 6493535) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID6493535
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N4O3S/c1-3-21(25(23,24)16-7-5-15(2)6-8-16)13-17(22)19-9-4-11-20-12-10-18-14-20/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,19,22)
InChIKeyQXFJCBPXGNXZSR-UHFFFAOYSA-N
XLogP1.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6493524
US8980932, 4b (DH304)
CID 57413827
US8980932, 4c (DH305)
CID 57413828
1-Ethyl-3-methylimidazolium p-Toluenesulfonate
CID 10636633
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-4-sulfonamide
CID 3240199
1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine
CID 4784720
2-(1-Methylimidazol-2-yl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 4881938
(E)-N-(3-imidazol-1-ylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 5811052
(E)-N-(3-imidazol-1-ylpropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6255073
N-[3-(1H-imidazol-1-yl)propyl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 6463123

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide (CID 6493535) is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide is CCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is QXFJCBPXGNXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-21(25(23,24)16-7-5-15(2)6-8-16)13-17(22)19-9-4-11-20-12-10-18-14-20/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,19,22).
What are the key properties of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 6493535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).