N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide

C23H26N4O7S — CID 11649056

IUPACN-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)NC(C=O)CC(=O)NS(C)(=O)=O
InChIInChI=1S/C23H26N4O7S/c1-15(21(30)25-18(14-28)13-20(29)27-35(2,33)34)24-22(31)23(32)26-19-11-7-6-10-17(19)12-16-8-4-3-5-9-16/h3-11,14-15,18H,12-13H2,1-2H3,(H,24,31)(H,25,30)(H,26,32)(H,27,29)
InChIKeyPWTMUNXPOMKKCT-UHFFFAOYSA-N
MW502.55 g/mol
LogP-0.13
Rot. Bonds10

About N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide

N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide (PubChem CID 11649056) has the molecular formula C23H26N4O7S and a molecular weight of 502.55 g/mol. Its IUPAC name is N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
PubChem CID11649056
Molecular FormulaC23H26N4O7S
Molecular Weight502.55 g/mol
Exact Mass502.15
IUPAC NameN-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)NC(C=O)CC(=O)NS(C)(=O)=O
InChIInChI=1S/C23H26N4O7S/c1-15(21(30)25-18(14-28)13-20(29)27-35(2,33)34)24-22(31)23(32)26-19-11-7-6-10-17(19)12-16-8-4-3-5-9-16/h3-11,14-15,18H,12-13H2,1-2H3,(H,24,31)(H,25,30)(H,26,32)(H,27,29)
InChIKeyPWTMUNXPOMKKCT-UHFFFAOYSA-N
XLogP-0.13
TPSA167.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The IUPAC name of N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide (CID 11649056) is N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide.
What is the SMILES notation for N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The canonical SMILES for N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide is CC(NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)NC(C=O)CC(=O)NS(C)(=O)=O.
What is the InChIKey of N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The InChIKey is PWTMUNXPOMKKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O7S/c1-15(21(30)25-18(14-28)13-20(29)27-35(2,33)34)24-22(31)23(32)26-19-11-7-6-10-17(19)12-16-8-4-3-5-9-16/h3-11,14-15,18H,12-13H2,1-2H3,(H,24,31)(H,25,30)(H,26,32)(H,27,29).
What are the key properties of N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide has a molecular weight of 502.55 g/mol, XLogP of -0.13, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide is sourced from PubChem (CID 11649056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).