2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide

C17H22N4O2S3 — CID 7737880

IUPAC2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCCSc1nnc(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)s1
InChIInChI=1S/C17H22N4O2S3/c1-4-24-16-20-21-17(26-16)25-10-14(22)19-13-8-6-5-7-12(13)15(23)18-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyOLBHTSJTXXNMLL-UHFFFAOYSA-N
MW410.59 g/mol
LogP3.77
Rot. Bonds9

About 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 7737880) has the molecular formula C17H22N4O2S3 and a molecular weight of 410.59 g/mol. Its IUPAC name is 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID7737880
Molecular FormulaC17H22N4O2S3
Molecular Weight410.59 g/mol
Exact Mass410.09
IUPAC Name2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCCSc1nnc(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)s1
InChIInChI=1S/C17H22N4O2S3/c1-4-24-16-20-21-17(26-16)25-10-14(22)19-13-8-6-5-7-12(13)15(23)18-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyOLBHTSJTXXNMLL-UHFFFAOYSA-N
XLogP3.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7737898
2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46626813
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2661368
N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 27988089
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 8633965
N-(2-ethylphenyl)-2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 40750211
N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30360208
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 9027318
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 7737880) is 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide is CCSc1nnc(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)s1.
What is the InChIKey of 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is OLBHTSJTXXNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S3/c1-4-24-16-20-21-17(26-16)25-10-14(22)19-13-8-6-5-7-12(13)15(23)18-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 410.59 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 7737880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).