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

C16H22N4O3S — CID 6493524

IUPACN-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C16H22N4O3S/c1-14-4-6-15(7-5-14)24(22,23)19(2)12-16(21)18-8-3-10-20-11-9-17-13-20/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,18,21)
InChIKeyRDZRICMMRASSSB-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.02
Rot. Bonds8

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

N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 6493524) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID6493524
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C16H22N4O3S/c1-14-4-6-15(7-5-14)24(22,23)19(2)12-16(21)18-8-3-10-20-11-9-17-13-20/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,18,21)
InChIKeyRDZRICMMRASSSB-UHFFFAOYSA-N
XLogP1.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
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
1-(4-Fluoro-benzenesulfonyl)-piperidine-3-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 6463928

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 6493524) is N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RDZRICMMRASSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-14-4-6-15(7-5-14)24(22,23)19(2)12-16(21)18-8-3-10-20-11-9-17-13-20/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 6493524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).