N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C20H22N4OS — CID 7908505

IUPACN-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-2-3-7-15-10-12-17(13-11-15)21-18(25)14-26-20-22-19(23-24-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyORJNOEGNHCCBHN-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.55
Rot. Bonds8

About N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7908505) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7908505
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-2-3-7-15-10-12-17(13-11-15)21-18(25)14-26-20-22-19(23-24-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyORJNOEGNHCCBHN-UHFFFAOYSA-N
XLogP4.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]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 N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7908505) is N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCCc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ORJNOEGNHCCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-3-7-15-10-12-17(13-11-15)21-18(25)14-26-20-22-19(23-24-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7908505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).