N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide

C17H14Cl2N4O2S2 — CID 4751146

IUPACN-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)c2n[nH]c(=S)s2)cc1
InChIInChI=1S/C17H14Cl2N4O2S2/c1-25-12-5-3-11(4-6-12)23(16-21-22-17(26)27-16)9-15(24)20-14-8-10(18)2-7-13(14)19/h2-8H,9H2,1H3,(H,20,24)(H,22,26)
InChIKeyVNUWFFBENWJANI-UHFFFAOYSA-N
MW441.37 g/mol
LogP5.29
Rot. Bonds6

About N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide

N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide (PubChem CID 4751146) has the molecular formula C17H14Cl2N4O2S2 and a molecular weight of 441.37 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide
PubChem CID4751146
Molecular FormulaC17H14Cl2N4O2S2
Molecular Weight441.37 g/mol
Exact Mass439.99
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)c2n[nH]c(=S)s2)cc1
InChIInChI=1S/C17H14Cl2N4O2S2/c1-25-12-5-3-11(4-6-12)23(16-21-22-17(26)27-16)9-15(24)20-14-8-10(18)2-7-13(14)19/h2-8H,9H2,1H3,(H,20,24)(H,22,26)
InChIKeyVNUWFFBENWJANI-UHFFFAOYSA-N
XLogP5.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide 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-(2,5-dichlorophenyl)-2-(N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide
CID 4750980
N-(2,6-dimethylphenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide
CID 4751149
N-(2,5-dichlorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2206870
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335734
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655404
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide (CID 4751146) is N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide is COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)c2n[nH]c(=S)s2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide?
The InChIKey is VNUWFFBENWJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S2/c1-25-12-5-3-11(4-6-12)23(16-21-22-17(26)27-16)9-15(24)20-14-8-10(18)2-7-13(14)19/h2-8H,9H2,1H3,(H,20,24)(H,22,26).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide?
N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide has a molecular weight of 441.37 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetamide is sourced from PubChem (CID 4751146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).