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

C23H32N2O5S — CID 4174403

IUPACN-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)CC1CCCO1
InChIInChI=1S/C23H32N2O5S/c1-2-3-15-31(27,28)25(18-22-12-8-14-30-22)19-23(26)24(17-21-11-7-13-29-21)16-20-9-5-4-6-10-20/h4-7,9-11,13,22H,2-3,8,12,14-19H2,1H3
InChIKeyYJGTXZXOHMDBTM-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.42
Rot. Bonds12

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

N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4174403) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID4174403
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC NameN-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)CC1CCCO1
InChIInChI=1S/C23H32N2O5S/c1-2-3-15-31(27,28)25(18-22-12-8-14-30-22)19-23(26)24(17-21-11-7-13-29-21)16-20-9-5-4-6-10-20/h4-7,9-11,13,22H,2-3,8,12,14-19H2,1H3
InChIKeyYJGTXZXOHMDBTM-UHFFFAOYSA-N
XLogP3.42
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4174401
N-benzyl-2-[octylsulfonyl(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 42777706
N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[octylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 42773240
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
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]nonanamide
CID 98396498
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-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93110315

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 4174403) is N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide is CCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)CC1CCCO1.
What is the InChIKey of N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YJGTXZXOHMDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-2-3-15-31(27,28)25(18-22-12-8-14-30-22)19-23(26)24(17-21-11-7-13-29-21)16-20-9-5-4-6-10-20/h4-7,9-11,13,22H,2-3,8,12,14-19H2,1H3.
What are the key properties of N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 448.59 g/mol, XLogP of 3.42, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4174403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).