N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide

C17H23N3O3S — CID 46575207

IUPACN-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide
SMILESCc1cccc(C)c1NC(=O)CCCSCCN1C(=O)CNC1=O
InChIInChI=1S/C17H23N3O3S/c1-12-5-3-6-13(2)16(12)19-14(21)7-4-9-24-10-8-20-15(22)11-18-17(20)23/h3,5-6H,4,7-11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyVNOPPPHWKFCOPM-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.31
Rot. Bonds8

About N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide

N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide (PubChem CID 46575207) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide
PubChem CID46575207
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide
SMILESCc1cccc(C)c1NC(=O)CCCSCCN1C(=O)CNC1=O
InChIInChI=1S/C17H23N3O3S/c1-12-5-3-6-13(2)16(12)19-14(21)7-4-9-24-10-8-20-15(22)11-18-17(20)23/h3,5-6H,4,7-11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyVNOPPPHWKFCOPM-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetic acid
CID 44784956
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 110686764
N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 16796113
4-[3-(2-chloroanilino)-3-oxopropyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide
CID 34503333
N-(2,6-dimethylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]sulfanylbutanamide
CID 31090336
3-[[2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18289045
(2,3-dimethylphenyl) 4-(2,5-dioxoimidazolidin-1-yl)butanoate
CID 87011719
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,6-dimethylphenyl)-4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylbutanamide
CID 31090338
4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
CID 87036718
N-(2,6-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034058
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide (CID 46575207) is N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide is Cc1cccc(C)c1NC(=O)CCCSCCN1C(=O)CNC1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide?
The InChIKey is VNOPPPHWKFCOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-5-3-6-13(2)16(12)19-14(21)7-4-9-24-10-8-20-15(22)11-18-17(20)23/h3,5-6H,4,7-11H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide?
N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide has a molecular weight of 349.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide is sourced from PubChem (CID 46575207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).