N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C17H28N2O5S — CID 93110315

IUPACN-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O5S/c1-14(2)10-19(25(3,21)22)13-17(20)18(11-15-6-4-8-23-15)12-16-7-5-9-24-16/h4,6,8,14,16H,5,7,9-13H2,1-3H3/t16-/m1/s1
InChIKeyCIRKTAWHKGFKJU-MRXNPFEDSA-N
MW372.49 g/mol
LogP1.70
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 93110315) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID93110315
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC NameN-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O5S/c1-14(2)10-19(25(3,21)22)13-17(20)18(11-15-6-4-8-23-15)12-16-7-5-9-24-16/h4,6,8,14,16H,5,7,9-13H2,1-3H3/t16-/m1/s1
InChIKeyCIRKTAWHKGFKJU-MRXNPFEDSA-N
XLogP1.70
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5146816
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 4636879
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 93110082
N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4174401
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide
CID 7237047
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylprop-2-enamide
CID 3638962
2-[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93110281
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 93110315) is N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CC(C)CN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)S(C)(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CIRKTAWHKGFKJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-14(2)10-19(25(3,21)22)13-17(20)18(11-15-6-4-8-23-15)12-16-7-5-9-24-16/h4,6,8,14,16H,5,7,9-13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 372.49 g/mol, XLogP of 1.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93110315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).