N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide

C26H38N2O6S — CID 70051105

IUPACN-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide
SMILESCCCCC(NCCCC(C)N(C)C(=O)COc1ccccc1)C(=O)CS(=O)(=O)Cc1ccco1
InChIInChI=1S/C26H38N2O6S/c1-4-5-15-24(25(29)20-35(31,32)19-23-14-10-17-33-23)27-16-9-11-21(2)28(3)26(30)18-34-22-12-7-6-8-13-22/h6-8,10,12-14,17,21,24,27H,4-5,9,11,15-16,18-20H2,1-3H3
InChIKeyMBKIRJNIFQBACI-UHFFFAOYSA-N
MW506.67 g/mol
LogP3.62
Rot. Bonds17

About N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide

N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide (PubChem CID 70051105) has the molecular formula C26H38N2O6S and a molecular weight of 506.67 g/mol. Its IUPAC name is N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide
PubChem CID70051105
Molecular FormulaC26H38N2O6S
Molecular Weight506.67 g/mol
Exact Mass506.25
IUPAC NameN-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide
SMILESCCCCC(NCCCC(C)N(C)C(=O)COc1ccccc1)C(=O)CS(=O)(=O)Cc1ccco1
InChIInChI=1S/C26H38N2O6S/c1-4-5-15-24(25(29)20-35(31,32)19-23-14-10-17-33-23)27-16-9-11-21(2)28(3)26(30)18-34-22-12-7-6-8-13-22/h6-8,10,12-14,17,21,24,27H,4-5,9,11,15-16,18-20H2,1-3H3
InChIKeyMBKIRJNIFQBACI-UHFFFAOYSA-N
XLogP3.62
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.67
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[1-cyclohexyl-4-(furan-2-ylmethylsulfanyl)-3-oxobutan-2-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide
CID 70051706
N-[5-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenylacetamide
CID 70052597
N-[(3S)-1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]-5-[[2-(4-methylphenoxy)acetyl]amino]pentanamide
CID 54142531
N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide
CID 15287855
ethyl 2-(furan-2-ylmethylsulfonyl)acetate
CID 15626811
benzyl N-[(2R)-1-[[(5S)-1-(furan-2-yl)-4-oxononan-5-yl]amino]-4-methylpentan-2-yl]carbamate
CID 70047343
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methylpentan-2-yl]-2-(2-methylphenoxy)acetamide
CID 70090348
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methylpentanamide
CID 54247406
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide?
The IUPAC name of N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide (CID 70051105) is N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide?
The canonical SMILES for N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide is CCCCC(NCCCC(C)N(C)C(=O)COc1ccccc1)C(=O)CS(=O)(=O)Cc1ccco1.
What is the InChIKey of N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide?
The InChIKey is MBKIRJNIFQBACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O6S/c1-4-5-15-24(25(29)20-35(31,32)19-23-14-10-17-33-23)27-16-9-11-21(2)28(3)26(30)18-34-22-12-7-6-8-13-22/h6-8,10,12-14,17,21,24,27H,4-5,9,11,15-16,18-20H2,1-3H3.
What are the key properties of N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide?
N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide has a molecular weight of 506.67 g/mol, XLogP of 3.62, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-(furan-2-ylmethylsulfonyl)-2-oxoheptan-3-yl]amino]pentan-2-yl]-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 70051105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).