N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H17BrN4OS — CID 8970268

IUPACN-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(C2CC2)n1C1CC1)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN4OS/c17-11-2-1-3-12(8-11)18-14(22)9-23-16-20-19-15(10-4-5-10)21(16)13-6-7-13/h1-3,8,10,13H,4-7,9H2,(H,18,22)
InChIKeySRWUIUXZGBTIAO-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.98
Rot. Bonds6

About N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8970268) has the molecular formula C16H17BrN4OS and a molecular weight of 393.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8970268
Molecular FormulaC16H17BrN4OS
Molecular Weight393.31 g/mol
Exact Mass392.03
IUPAC NameN-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(C2CC2)n1C1CC1)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN4OS/c17-11-2-1-3-12(8-11)18-14(22)9-23-16-20-19-15(10-4-5-10)21(16)13-6-7-13/h1-3,8,10,13H,4-7,9H2,(H,18,22)
InChIKeySRWUIUXZGBTIAO-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-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-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8970268) is N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SRWUIUXZGBTIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4OS/c17-11-2-1-3-12(8-11)18-14(22)9-23-16-20-19-15(10-4-5-10)21(16)13-6-7-13/h1-3,8,10,13H,4-7,9H2,(H,18,22).
What are the key properties of N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8970268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).