N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

C18H22N4O3S — CID 3155476

IUPACN-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)C
InChIInChI=1S/C18H22N4O3S/c1-6-13-7-8-15-14(9-13)18(16(25)21(15)10(2)3)22(12(5)24)20-17(26-18)19-11(4)23/h7-10H,6H2,1-5H3,(H,19,20,23)
InChIKeyFNUHPSWAQKJWBO-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.16
Rot. Bonds2

About N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 3155476) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID3155476
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)C
InChIInChI=1S/C18H22N4O3S/c1-6-13-7-8-15-14(9-13)18(16(25)21(15)10(2)3)22(12(5)24)20-17(26-18)19-11(4)23/h7-10H,6H2,1-5H3,(H,19,20,23)
InChIKeyFNUHPSWAQKJWBO-UHFFFAOYSA-N
XLogP2.16
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)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-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 3155476) is N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is CCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)C.
What is the InChIKey of N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is FNUHPSWAQKJWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-6-13-7-8-15-14(9-13)18(16(25)21(15)10(2)3)22(12(5)24)20-17(26-18)19-11(4)23/h7-10H,6H2,1-5H3,(H,19,20,23).
What are the key properties of N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 3155476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).