N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

C22H33N5O3S2 — CID 55408313

IUPACN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCSc1nnc(CCCNC(=O)CCNS(=O)(=O)c2ccc(C)cc2C)n1C1CCCC1
InChIInChI=1S/C22H33N5O3S2/c1-16-10-11-19(17(2)15-16)32(29,30)24-14-12-21(28)23-13-6-9-20-25-26-22(31-3)27(20)18-7-4-5-8-18/h10-11,15,18,24H,4-9,12-14H2,1-3H3,(H,23,28)
InChIKeyHRQLUIXHYRYEIF-UHFFFAOYSA-N
MW479.67 g/mol
LogP3.15
Rot. Bonds11

About N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 55408313) has the molecular formula C22H33N5O3S2 and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID55408313
Molecular FormulaC22H33N5O3S2
Molecular Weight479.67 g/mol
Exact Mass479.20
IUPAC NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCSc1nnc(CCCNC(=O)CCNS(=O)(=O)c2ccc(C)cc2C)n1C1CCCC1
InChIInChI=1S/C22H33N5O3S2/c1-16-10-11-19(17(2)15-16)32(29,30)24-14-12-21(28)23-13-6-9-20-25-26-22(31-3)27(20)18-7-4-5-8-18/h10-11,15,18,24H,4-9,12-14H2,1-3H3,(H,23,28)
InChIKeyHRQLUIXHYRYEIF-UHFFFAOYSA-N
XLogP3.15
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide 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

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55396089
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 51213824
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-thiophen-3-ylpropanamide
CID 55396180
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-thiophen-2-ylpropanamide
CID 78813119
3-(2-bromophenyl)sulfanyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]propanamide
CID 55913115
1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine
CID 111938561
3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylcarbamoylamino]propanoic acid
CID 122000614
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 51213819
N-[2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55408315
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55911459
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(4-fluorophenyl)urea
CID 51250456

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (CID 55408313) is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is CSc1nnc(CCCNC(=O)CCNS(=O)(=O)c2ccc(C)cc2C)n1C1CCCC1.
What is the InChIKey of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is HRQLUIXHYRYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3S2/c1-16-10-11-19(17(2)15-16)32(29,30)24-14-12-21(28)23-13-6-9-20-25-26-22(31-3)27(20)18-7-4-5-8-18/h10-11,15,18,24H,4-9,12-14H2,1-3H3,(H,23,28).
What are the key properties of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 479.67 g/mol, XLogP of 3.15, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55408313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).