N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide

C15H20Cl2N2O4S — CID 2765564

IUPACN-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide
SMILESCOCCOc1cc(NC(=O)CSCC(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O4S/c1-19(2)15(21)9-24-8-14(20)18-12-7-13(23-5-4-22-3)11(17)6-10(12)16/h6-7H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyNISMGJWMATYVQX-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.78
Rot. Bonds9

About N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide

N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 2765564) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID2765564
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC NameN-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide
SMILESCOCCOc1cc(NC(=O)CSCC(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O4S/c1-19(2)15(21)9-24-8-14(20)18-12-7-13(23-5-4-22-3)11(17)6-10(12)16/h6-7H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyNISMGJWMATYVQX-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.78
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

2-[2-(2,4-dichloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 1484176
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-3-methoxybenzamide
CID 3423334
N-(2,4-dichloro-5-propoxyphenyl)acetamide
CID 165356736
2-[[2,4-dichloro-5-(2-methoxyethoxy)anilino]methylidene]propanedinitrile
CID 168545114
3-(4-chlorophenyl)sulfanyl-N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-hydroxy-2-methylpropanamide
CID 3821433
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493
N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 16602984
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid
CID 53216451
2-[2-(2-chloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569778
5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide (CID 2765564) is N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide is COCCOc1cc(NC(=O)CSCC(=O)N(C)C)c(Cl)cc1Cl.
What is the InChIKey of N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is NISMGJWMATYVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-19(2)15(21)9-24-8-14(20)18-12-7-13(23-5-4-22-3)11(17)6-10(12)16/h6-7H,4-5,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide?
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 395.31 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 2765564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).