N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide

C23H34N4O6S — CID 11555023

IUPACN-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide
SMILESCC(C)C(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)NC(C=O)CCC(=O)NS(C)=O
InChIInChI=1S/C23H34N4O6S/c1-14(2)19(20(30)24-15(13-28)11-12-18(29)27-34(6)33)26-22(32)21(31)25-17-10-8-7-9-16(17)23(3,4)5/h7-10,13-15,19H,11-12H2,1-6H3,(H,24,30)(H,25,31)(H,26,32)(H,27,29)
InChIKeyRWYQHBFAHOAJAQ-UHFFFAOYSA-N
MW494.61 g/mol
LogP0.94
Rot. Bonds10

About N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide

N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide (PubChem CID 11555023) has the molecular formula C23H34N4O6S and a molecular weight of 494.61 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide
PubChem CID11555023
Molecular FormulaC23H34N4O6S
Molecular Weight494.61 g/mol
Exact Mass494.22
IUPAC NameN-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide
SMILESCC(C)C(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)NC(C=O)CCC(=O)NS(C)=O
InChIInChI=1S/C23H34N4O6S/c1-14(2)19(20(30)24-15(13-28)11-12-18(29)27-34(6)33)26-22(32)21(31)25-17-10-8-7-9-16(17)23(3,4)5/h7-10,13-15,19H,11-12H2,1-6H3,(H,24,30)(H,25,31)(H,26,32)(H,27,29)
InChIKeyRWYQHBFAHOAJAQ-UHFFFAOYSA-N
XLogP0.94
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide 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-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798073
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
CID 58635218
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974121
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
N-(2-tert-butylphenyl)-2,3-dichloropropanamide
CID 67892267
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide (CID 11555023) is N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide is CC(C)C(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)NC(C=O)CCC(=O)NS(C)=O.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide?
The InChIKey is RWYQHBFAHOAJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O6S/c1-14(2)19(20(30)24-15(13-28)11-12-18(29)27-34(6)33)26-22(32)21(31)25-17-10-8-7-9-16(17)23(3,4)5/h7-10,13-15,19H,11-12H2,1-6H3,(H,24,30)(H,25,31)(H,26,32)(H,27,29).
What are the key properties of N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide?
N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide has a molecular weight of 494.61 g/mol, XLogP of 0.94, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide is sourced from PubChem (CID 11555023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).