N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide

C26H30N2O4S — CID 4193810

IUPACN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(C(C)C)S(=O)(=O)C=Cc2ccccc2)o1
InChIInChI=1S/C26H30N2O4S/c1-21(2)28(33(30,31)17-16-23-10-6-4-7-11-23)20-26(29)27(18-24-12-8-5-9-13-24)19-25-15-14-22(3)32-25/h4-17,21H,18-20H2,1-3H3
InChIKeyFLYSAEUUAMBLBU-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.83
Rot. Bonds10

About N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide

N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 4193810) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID4193810
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(C(C)C)S(=O)(=O)C=Cc2ccccc2)o1
InChIInChI=1S/C26H30N2O4S/c1-21(2)28(33(30,31)17-16-23-10-6-4-7-11-23)20-26(29)27(18-24-12-8-5-9-13-24)19-25-15-14-22(3)32-25/h4-17,21H,18-20H2,1-3H3
InChIKeyFLYSAEUUAMBLBU-UHFFFAOYSA-N
XLogP4.83
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
CID 61022884
N-benzyl-2-[(4-chloro-3-nitrophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4218159
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4082449
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4669024
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 3543106
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773248
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42773235
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 5155914
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide
CID 3572087
(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
CID 52697174

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide (CID 4193810) is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(C)C)S(=O)(=O)C=Cc2ccccc2)o1.
What is the InChIKey of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is FLYSAEUUAMBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-21(2)28(33(30,31)17-16-23-10-6-4-7-11-23)20-26(29)27(18-24-12-8-5-9-13-24)19-25-15-14-22(3)32-25/h4-17,21H,18-20H2,1-3H3.
What are the key properties of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide?
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 4193810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).