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

C12H20N2O4S — CID 113152850

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)N(CC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)14(19(4,16)17)9-11(15)13-8-10-6-5-7-18-10/h5-7H,8-9H2,1-4H3,(H,13,15)
InChIKeyCDUNUFPJVHAKJL-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.96
Rot. Bonds5

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

2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 113152850) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID113152850
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)N(CC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)14(19(4,16)17)9-11(15)13-8-10-6-5-7-18-10/h5-7H,8-9H2,1-4H3,(H,13,15)
InChIKeyCDUNUFPJVHAKJL-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

2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 1313308
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78957529
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113152861
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 113152850) is 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide is CC(C)(C)N(CC(=O)NCc1ccco1)S(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CDUNUFPJVHAKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-12(2,3)14(19(4,16)17)9-11(15)13-8-10-6-5-7-18-10/h5-7H,8-9H2,1-4H3,(H,13,15).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)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 2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113152850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).