N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C18H26N4O3S — CID 4787528

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2nc(C)cc2C)cc1
InChIInChI=1S/C18H26N4O3S/c1-14-6-8-17(9-7-14)26(24,25)21(4)13-18(23)19-10-5-11-22-16(3)12-15(2)20-22/h6-9,12H,5,10-11,13H2,1-4H3,(H,19,23)
InChIKeyUUDNRAMZNJCMCD-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.64
Rot. Bonds8

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 4787528) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID4787528
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2nc(C)cc2C)cc1
InChIInChI=1S/C18H26N4O3S/c1-14-6-8-17(9-7-14)26(24,25)21(4)13-18(23)19-10-5-11-22-16(3)12-15(2)20-22/h6-9,12H,5,10-11,13H2,1-4H3,(H,19,23)
InChIKeyUUDNRAMZNJCMCD-UHFFFAOYSA-N
XLogP1.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 4787528) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2nc(C)cc2C)cc1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is UUDNRAMZNJCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-14-6-8-17(9-7-14)26(24,25)21(4)13-18(23)19-10-5-11-22-16(3)12-15(2)20-22/h6-9,12H,5,10-11,13H2,1-4H3,(H,19,23).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 378.50 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4787528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).