N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide

C13H16Cl2N2O2S — CID 5155672

IUPACN-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2S/c1-13(2,3)17-12(19)16-11(18)7-20-10-6-8(14)4-5-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyZAGZFPTWODSSLF-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.71
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide

N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide (PubChem CID 5155672) has the molecular formula C13H16Cl2N2O2S and a molecular weight of 335.26 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
PubChem CID5155672
Molecular FormulaC13H16Cl2N2O2S
Molecular Weight335.26 g/mol
Exact Mass334.03
IUPAC NameN-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2S/c1-13(2,3)17-12(19)16-11(18)7-20-10-6-8(14)4-5-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyZAGZFPTWODSSLF-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide 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-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 5223865
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 8787419
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590387
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide
CID 26507654
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide (CID 5155672) is N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide is CC(C)(C)NC(=O)NC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The InChIKey is ZAGZFPTWODSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2S/c1-13(2,3)17-12(19)16-11(18)7-20-10-6-8(14)4-5-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide has a molecular weight of 335.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 5155672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).