3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide

C26H34N4O3S — CID 46473676

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCc2cn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C26H34N4O3S/c1-4-29(5-2)34(32,33)25-16-13-22(14-17-25)15-18-26(31)27-19-9-10-23-20-30(28-21(23)3)24-11-7-6-8-12-24/h6-8,11-14,16-17,20H,4-5,9-10,15,18-19H2,1-3H3,(H,27,31)
InChIKeyGIOLZCKVACQRTB-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.89
Rot. Bonds12

About 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide (PubChem CID 46473676) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
PubChem CID46473676
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCc2cn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C26H34N4O3S/c1-4-29(5-2)34(32,33)25-16-13-22(14-17-25)15-18-26(31)27-19-9-10-23-20-30(28-21(23)3)24-11-7-6-8-12-24/h6-8,11-14,16-17,20H,4-5,9-10,15,18-19H2,1-3H3,(H,27,31)
InChIKeyGIOLZCKVACQRTB-UHFFFAOYSA-N
XLogP3.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.89
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 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide (CID 46473676) is 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCc2cn(-c3ccccc3)nc2C)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide?
The InChIKey is GIOLZCKVACQRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-4-29(5-2)34(32,33)25-16-13-22(14-17-25)15-18-26(31)27-19-9-10-23-20-30(28-21(23)3)24-11-7-6-8-12-24/h6-8,11-14,16-17,20H,4-5,9-10,15,18-19H2,1-3H3,(H,27,31).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide has a molecular weight of 482.65 g/mol, XLogP of 3.89, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 46473676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).