N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide

C21H28N2O5S — CID 4174401

IUPACN-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)CC1CCCO1
InChIInChI=1S/C21H28N2O5S/c1-2-29(25,26)23(16-20-11-7-13-28-20)17-21(24)22(15-19-10-6-12-27-19)14-18-8-4-3-5-9-18/h3-6,8-10,12,20H,2,7,11,13-17H2,1H3
InChIKeyHYVQLLLQYUVBPP-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.64
Rot. Bonds10

About N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4174401) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID4174401
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)CC1CCCO1
InChIInChI=1S/C21H28N2O5S/c1-2-29(25,26)23(16-20-11-7-13-28-20)17-21(24)22(15-19-10-6-12-27-19)14-18-8-4-3-5-9-18/h3-6,8-10,12,20H,2,7,11,13-17H2,1H3
InChIKeyHYVQLLLQYUVBPP-UHFFFAOYSA-N
XLogP2.64
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4174403
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6941551
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 92519037
2-[(4-tert-butylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4648948
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416321
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416323
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93110315
N-benzyl-2-[octylsulfonyl(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 42777706
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5244605
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 4174401) is N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide is CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)CC1CCCO1.
What is the InChIKey of N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HYVQLLLQYUVBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-2-29(25,26)23(16-20-11-7-13-28-20)17-21(24)22(15-19-10-6-12-27-19)14-18-8-4-3-5-9-18/h3-6,8-10,12,20H,2,7,11,13-17H2,1H3.
What are the key properties of N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4174401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).