N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide

C12H20N2O4S — CID 113150306

IUPACN-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)13-11(15)9-14(19(4,16)17)8-10-6-5-7-18-10/h5-7H,8-9H2,1-4H3,(H,13,15)
InChIKeyIASVBUUAOUJYER-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.96
Rot. Bonds5

About N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide

N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide (PubChem CID 113150306) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
PubChem CID113150306
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)13-11(15)9-14(19(4,16)17)8-10-6-5-7-18-10/h5-7H,8-9H2,1-4H3,(H,13,15)
InChIKeyIASVBUUAOUJYER-UHFFFAOYSA-N
XLogP0.96
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
N-(2,6-dichlorophenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150398
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
N-(2-ethoxyphenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150359
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
2-[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylacetamide
CID 32888554
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 889054
2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 113152850
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide (CID 113150306) is N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide is CC(C)(C)NC(=O)CN(Cc1ccco1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide?
The InChIKey is IASVBUUAOUJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-12(2,3)13-11(15)9-14(19(4,16)17)8-10-6-5-7-18-10/h5-7H,8-9H2,1-4H3,(H,13,15).
What are the key properties of N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide?
N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide has a molecular weight of 288.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113150306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).