2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide

C24H29N5O3S2 — CID 100789838

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCCSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O3S2/c30-22(25-16-17-33-24-26-23(27-28-24)19-10-4-1-5-11-19)18-29(20-12-6-2-7-13-20)34(31,32)21-14-8-3-9-15-21/h1,3-5,8-11,14-15,20H,2,6-7,12-13,16-18H2,(H,25,30)(H,26,27,28)
InChIKeyXOJUGBPDMJNQNV-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.70
Rot. Bonds10

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide (PubChem CID 100789838) has the molecular formula C24H29N5O3S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
PubChem CID100789838
Molecular FormulaC24H29N5O3S2
Molecular Weight499.66 g/mol
Exact Mass499.17
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCCSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O3S2/c30-22(25-16-17-33-24-26-23(27-28-24)19-10-4-1-5-11-19)18-29(20-12-6-2-7-13-20)34(31,32)21-14-8-3-9-15-21/h1,3-5,8-11,14-15,20H,2,6-7,12-13,16-18H2,(H,25,30)(H,26,27,28)
InChIKeyXOJUGBPDMJNQNV-UHFFFAOYSA-N
XLogP3.70
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide (CID 100789838) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCCSc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
The InChIKey is XOJUGBPDMJNQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S2/c30-22(25-16-17-33-24-26-23(27-28-24)19-10-4-1-5-11-19)18-29(20-12-6-2-7-13-20)34(31,32)21-14-8-3-9-15-21/h1,3-5,8-11,14-15,20H,2,6-7,12-13,16-18H2,(H,25,30)(H,26,27,28).
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide has a molecular weight of 499.66 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 100789838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).