N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

C17H19Cl2N3O2S2 — CID 37351934

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCc1nc(CSCCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C17H19Cl2N3O2S2/c1-11-20-12(10-26-11)9-25-7-6-16(24)22(2)8-15(23)21-17-13(18)4-3-5-14(17)19/h3-5,10H,6-9H2,1-2H3,(H,21,23)
InChIKeyHMROUXNVGXRDIE-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.48
Rot. Bonds8

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (PubChem CID 37351934) has the molecular formula C17H19Cl2N3O2S2 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
PubChem CID37351934
Molecular FormulaC17H19Cl2N3O2S2
Molecular Weight432.40 g/mol
Exact Mass431.03
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCc1nc(CSCCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C17H19Cl2N3O2S2/c1-11-20-12(10-26-11)9-25-7-6-16(24)22(2)8-15(23)21-17-13(18)4-3-5-14(17)19/h3-5,10H,6-9H2,1-2H3,(H,21,23)
InChIKeyHMROUXNVGXRDIE-UHFFFAOYSA-N
XLogP4.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34170082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 27807598
N-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909032
N-(3-acetamidophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909116
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 63939455
N-[1-(3-chlorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 42953335
N-(2,6-dichlorophenyl)-2-[methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 27807243
3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 27807442
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 27807515
N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 78765237
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (CID 37351934) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is Cc1nc(CSCCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cs1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is HMROUXNVGXRDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2S2/c1-11-20-12(10-26-11)9-25-7-6-16(24)22(2)8-15(23)21-17-13(18)4-3-5-14(17)19/h3-5,10H,6-9H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 432.40 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 37351934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).