N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

C22H25N5O2S2 — CID 15945270

IUPACN-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
InChIInChI=1S/C22H25N5O2S2/c1-4-16-9-5-6-11-18(16)24-19(28)13-27(3)20(29)14-30-22-26-25-21(31-22)23-17-10-7-8-15(2)12-17/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,28)
InChIKeyAKSNEDYXORLNFK-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.34
Rot. Bonds9

About N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 15945270) has the molecular formula C22H25N5O2S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID15945270
Molecular FormulaC22H25N5O2S2
Molecular Weight455.61 g/mol
Exact Mass455.14
IUPAC NameN-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
InChIInChI=1S/C22H25N5O2S2/c1-4-16-9-5-6-11-18(16)24-19(28)13-27(3)20(29)14-30-22-26-25-21(31-22)23-17-10-7-8-15(2)12-17/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,28)
InChIKeyAKSNEDYXORLNFK-UHFFFAOYSA-N
XLogP4.34
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]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-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (CID 15945270) is N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(Nc2cccc(C)c2)s1.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is AKSNEDYXORLNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S2/c1-4-16-9-5-6-11-18(16)24-19(28)13-27(3)20(29)14-30-22-26-25-21(31-22)23-17-10-7-8-15(2)12-17/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,28).
What are the key properties of N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 455.61 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 15945270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).