N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide

C26H24N4O3S3 — CID 21168769

IUPACN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
SMILESCCSc1nsc(NC(=O)C(Sc2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2)n1
InChIInChI=1S/C26H24N4O3S3/c1-2-34-26-29-25(36-30-26)28-24(32)23(18-9-5-3-6-10-18)35-21-15-13-19(14-16-21)27-22(31)17-33-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3,(H,27,31)(H,28,29,30,32)
InChIKeyZUNRNBDGIMGYQC-UHFFFAOYSA-N
MW536.70 g/mol
LogP6.14
Rot. Bonds11

About N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide

N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide (PubChem CID 21168769) has the molecular formula C26H24N4O3S3 and a molecular weight of 536.70 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
PubChem CID21168769
Molecular FormulaC26H24N4O3S3
Molecular Weight536.70 g/mol
Exact Mass536.10
IUPAC NameN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
SMILESCCSc1nsc(NC(=O)C(Sc2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2)n1
InChIInChI=1S/C26H24N4O3S3/c1-2-34-26-29-25(36-30-26)28-24(32)23(18-9-5-3-6-10-18)35-21-15-13-19(14-16-21)27-22(31)17-33-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3,(H,27,31)(H,28,29,30,32)
InChIKeyZUNRNBDGIMGYQC-UHFFFAOYSA-N
XLogP6.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide 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

2-[[4-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22784848
N-[4-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 21170427
2,4-dichloro-N-[4-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21170734
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 23101069
2-(3-acetamidophenyl)sulfanyl-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-phenylacetamide
CID 18912340
N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 23101245
2-[[3-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18898552
N-(5-chloro-2-methoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 21168503
2-[[4-[1-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22784810
2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 18900203
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
4-[4-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786434

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide (CID 21168769) is N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide is CCSc1nsc(NC(=O)C(Sc2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
The InChIKey is ZUNRNBDGIMGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S3/c1-2-34-26-29-25(36-30-26)28-24(32)23(18-9-5-3-6-10-18)35-21-15-13-19(14-16-21)27-22(31)17-33-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3,(H,27,31)(H,28,29,30,32).
What are the key properties of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide has a molecular weight of 536.70 g/mol, XLogP of 6.14, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 21168769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).