N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide

C18H22N4O3S — CID 3796867

IUPACN-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C2(S1)C(=O)N(CC(C)C)c1ccc(C)cc12
InChIInChI=1S/C18H22N4O3S/c1-10(2)9-21-15-7-6-11(3)8-14(15)18(16(21)25)22(13(5)24)20-17(26-18)19-12(4)23/h6-8,10H,9H2,1-5H3,(H,19,20,23)
InChIKeyNZNADKCCLLBTGZ-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.15
Rot. Bonds2

About N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide

N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide (PubChem CID 3796867) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
PubChem CID3796867
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C2(S1)C(=O)N(CC(C)C)c1ccc(C)cc12
InChIInChI=1S/C18H22N4O3S/c1-10(2)9-21-15-7-6-11(3)8-14(15)18(16(21)25)22(13(5)24)20-17(26-18)19-12(4)23/h6-8,10H,9H2,1-5H3,(H,19,20,23)
InChIKeyNZNADKCCLLBTGZ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide?
The IUPAC name of N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide (CID 3796867) is N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide.
What is the SMILES notation for N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide?
The canonical SMILES for N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C2(S1)C(=O)N(CC(C)C)c1ccc(C)cc12.
What is the InChIKey of N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide?
The InChIKey is NZNADKCCLLBTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-10(2)9-21-15-7-6-11(3)8-14(15)18(16(21)25)22(13(5)24)20-17(26-18)19-12(4)23/h6-8,10H,9H2,1-5H3,(H,19,20,23).
What are the key properties of N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide?
N-[4-acetyl-5'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 2.15, 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'-methyl-1'-(2-methylpropyl)-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide is sourced from PubChem (CID 3796867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).