N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide

C23H33N5O3S2 — CID 55396175

IUPACN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCSc1nnc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1C1CCCC1
InChIInChI=1S/C23H33N5O3S2/c1-32-23-26-25-21(28(23)19-10-3-4-11-19)13-8-14-24-22(29)18-9-7-12-20(17-18)33(30,31)27-15-5-2-6-16-27/h7,9,12,17,19H,2-6,8,10-11,13-16H2,1H3,(H,24,29)
InChIKeyXTKZULLOAOOLCS-UHFFFAOYSA-N
MW491.68 g/mol
LogP3.65
Rot. Bonds9

About N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55396175) has the molecular formula C23H33N5O3S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55396175
Molecular FormulaC23H33N5O3S2
Molecular Weight491.68 g/mol
Exact Mass491.20
IUPAC NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCSc1nnc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1C1CCCC1
InChIInChI=1S/C23H33N5O3S2/c1-32-23-26-25-21(28(23)19-10-3-4-11-19)13-8-14-24-22(29)18-9-7-12-20(17-18)33(30,31)27-15-5-2-6-16-27/h7,9,12,17,19H,2-6,8,10-11,13-16H2,1H3,(H,24,29)
InChIKeyXTKZULLOAOOLCS-UHFFFAOYSA-N
XLogP3.65
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 53.65
H-Bond Donors ≤ 51
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-piperidin-1-ylsulfonylbenzamide 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]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55911459
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 51213819
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methoxybenzamide
CID 9050478
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 17415448
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
1-(2-chlorophenyl)-3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]urea
CID 51290563
N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9472505
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
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-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 134009662
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55396152

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55396175) is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide is CSc1nnc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1C1CCCC1.
What is the InChIKey of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XTKZULLOAOOLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S2/c1-32-23-26-25-21(28(23)19-10-3-4-11-19)13-8-14-24-22(29)18-9-7-12-20(17-18)33(30,31)27-15-5-2-6-16-27/h7,9,12,17,19H,2-6,8,10-11,13-16H2,1H3,(H,24,29).
What are the key properties of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 491.68 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 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-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55396175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).