N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide

C26H32N2O4S — CID 3904108

IUPACN-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1
InChIInChI=1S/C26H32N2O4S/c1-21(2)18-28(33(30,31)25-13-11-22(3)12-14-25)20-26(29)27(19-24-10-7-17-32-24)16-15-23-8-5-4-6-9-23/h4-14,17,21H,15-16,18-20H2,1-3H3
InChIKeyKLYOGBOVZAOLBB-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.51
Rot. Bonds11

About N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 3904108) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID3904108
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1
InChIInChI=1S/C26H32N2O4S/c1-21(2)18-28(33(30,31)25-13-11-22(3)12-14-25)20-26(29)27(19-24-10-7-17-32-24)16-15-23-8-5-4-6-9-23/h4-14,17,21H,15-16,18-20H2,1-3H3
InChIKeyKLYOGBOVZAOLBB-UHFFFAOYSA-N
XLogP4.51
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3317247
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4315085
N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3953201
2-[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3961353
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3598706
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide (CID 3904108) is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is KLYOGBOVZAOLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-21(2)18-28(33(30,31)25-13-11-22(3)12-14-25)20-26(29)27(19-24-10-7-17-32-24)16-15-23-8-5-4-6-9-23/h4-14,17,21H,15-16,18-20H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 468.62 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3904108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).