N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide

C24H28N4O7S — CID 11519175

IUPACN-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)NC(C=O)CCC(=O)NS(C)(=O)=O
InChIInChI=1S/C24H28N4O7S/c1-16(22(31)26-19(15-29)12-13-21(30)28-36(2,34)35)25-23(32)24(33)27-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-11,15-16,19H,12-14H2,1-2H3,(H,25,32)(H,26,31)(H,27,33)(H,28,30)
InChIKeyLITXMNZXHYHGOA-UHFFFAOYSA-N
MW516.58 g/mol
LogP0.26
Rot. Bonds11

About N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide

N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide (PubChem CID 11519175) has the molecular formula C24H28N4O7S and a molecular weight of 516.58 g/mol. Its IUPAC name is N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide
PubChem CID11519175
Molecular FormulaC24H28N4O7S
Molecular Weight516.58 g/mol
Exact Mass516.17
IUPAC NameN-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide
SMILESCC(NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)NC(C=O)CCC(=O)NS(C)(=O)=O
InChIInChI=1S/C24H28N4O7S/c1-16(22(31)26-19(15-29)12-13-21(30)28-36(2,34)35)25-23(32)24(33)27-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-11,15-16,19H,12-14H2,1-2H3,(H,25,32)(H,26,31)(H,27,33)(H,28,30)
InChIKeyLITXMNZXHYHGOA-UHFFFAOYSA-N
XLogP0.26
TPSA167.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 50.26
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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Related Compounds

N-(2-benzylphenyl)-N'-[1-[[4-(methanesulfonamido)-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
CID 11649056
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-benzyl-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide
CID 11495547
N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799039
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
N-(2-benzylphenyl)-4-hydroxybutanamide
CID 79205131
1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60603578
N-(2-tert-butylphenyl)-N'-[1-[[5-(methanesulfinamido)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxamide
CID 11555023
(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide
CID 2555292

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The IUPAC name of N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide (CID 11519175) is N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide.
What is the SMILES notation for N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The canonical SMILES for N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide is CC(NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)NC(C=O)CCC(=O)NS(C)(=O)=O.
What is the InChIKey of N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The InChIKey is LITXMNZXHYHGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O7S/c1-16(22(31)26-19(15-29)12-13-21(30)28-36(2,34)35)25-23(32)24(33)27-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-11,15-16,19H,12-14H2,1-2H3,(H,25,32)(H,26,31)(H,27,33)(H,28,30).
What are the key properties of N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
N-(2-benzylphenyl)-N'-[1-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide has a molecular weight of 516.58 g/mol, XLogP of 0.26, 11 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-[[5-(methanesulfonamido)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]oxamide is sourced from PubChem (CID 11519175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).