N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide

C15H20Cl2N2O4S — CID 170923683

IUPACN-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide
SMILESCC(C)Oc1cc(NC(=O)CS(O)=CC(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O4S/c1-9(2)23-13-6-12(10(16)5-11(13)17)18-14(20)7-24(22)8-15(21)19(3)4/h5-6,8-9,22H,7H2,1-4H3,(H,18,20)
InChIKeyOIICYIKAUZZAIB-UHFFFAOYSA-N
MW395.31 g/mol
LogP3.35
Rot. Bonds6

About N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide

N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide (PubChem CID 170923683) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide
PubChem CID170923683
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC NameN-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide
SMILESCC(C)Oc1cc(NC(=O)CS(O)=CC(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O4S/c1-9(2)23-13-6-12(10(16)5-11(13)17)18-14(20)7-24(22)8-15(21)19(3)4/h5-6,8-9,22H,7H2,1-4H3,(H,18,20)
InChIKeyOIICYIKAUZZAIB-UHFFFAOYSA-N
XLogP3.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid
CID 167518145
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide
CID 168742935
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
CID 159749309
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide
CID 2765564
4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid
CID 43614436
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
4-methyl-3-oxo-N-(2,4,5-trichlorophenyl)pentanamide
CID 121015861
N-[2-chloro-5-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513212
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3-[(Z)-hex-2-en-3-yl]urea
CID 70421486

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide?
The IUPAC name of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide (CID 170923683) is N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide is CC(C)Oc1cc(NC(=O)CS(O)=CC(=O)N(C)C)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide?
The InChIKey is OIICYIKAUZZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-9(2)23-13-6-12(10(16)5-11(13)17)18-14(20)7-24(22)8-15(21)19(3)4/h5-6,8-9,22H,7H2,1-4H3,(H,18,20).
What are the key properties of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide?
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide has a molecular weight of 395.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide is sourced from PubChem (CID 170923683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).