2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C20H20N4O2S2 — CID 17312018

IUPAC2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)CSCc2ccccc2)s1
InChIInChI=1S/C20H20N4O2S2/c1-2-18-23-24-20(28-18)22-19(26)15-10-6-7-11-16(15)21-17(25)13-27-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyHAWZXUHHKFMNNI-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.22
Rot. Bonds8

About 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17312018) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17312018
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)CSCc2ccccc2)s1
InChIInChI=1S/C20H20N4O2S2/c1-2-18-23-24-20(28-18)22-19(26)15-10-6-7-11-16(15)21-17(25)13-27-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyHAWZXUHHKFMNNI-UHFFFAOYSA-N
XLogP4.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)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-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17311918
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 17311359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312168
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
CID 34568225
2-benzylsulfanyl-N-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 40827780

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 17312018) is 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccccc2NC(=O)CSCc2ccccc2)s1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HAWZXUHHKFMNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-2-18-23-24-20(28-18)22-19(26)15-10-6-7-11-16(15)21-17(25)13-27-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 412.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17312018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).