2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide

C12H21N3O4S — CID 113149785

IUPAC2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(C)CCN(CC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S/c1-14(2)6-7-15(20(3,17)18)10-12(16)13-9-11-5-4-8-19-11/h4-5,8H,6-7,9-10H2,1-3H3,(H,13,16)
InChIKeyAMCOSZQRLMGCCV-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.28
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide

2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 113149785) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID113149785
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(C)CCN(CC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S/c1-14(2)6-7-15(20(3,17)18)10-12(16)13-9-11-5-4-8-19-11/h4-5,8H,6-7,9-10H2,1-3H3,(H,13,16)
InChIKeyAMCOSZQRLMGCCV-UHFFFAOYSA-N
XLogP-0.28
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 113152850
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 1313308
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 113230347
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78957529

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide (CID 113149785) is 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide is CN(C)CCN(CC(=O)NCc1ccco1)S(C)(=O)=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AMCOSZQRLMGCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-14(2)6-7-15(20(3,17)18)10-12(16)13-9-11-5-4-8-19-11/h4-5,8H,6-7,9-10H2,1-3H3,(H,13,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide?
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 303.38 g/mol, XLogP of -0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113149785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).