[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C14H21N3O7S — CID 55643963

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C14H21N3O7S/c1-14(2,3)16-10(18)7-17(4)11(19)8-23-13(20)9-5-6-12(24-9)25(15,21)22/h5-6H,7-8H2,1-4H3,(H,16,18)(H2,15,21,22)
InChIKeyHOQHXFRVYYYIOS-UHFFFAOYSA-N
MW375.40 g/mol
LogP-0.54
Rot. Bonds6

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643963) has the molecular formula C14H21N3O7S and a molecular weight of 375.40 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643963
Molecular FormulaC14H21N3O7S
Molecular Weight375.40 g/mol
Exact Mass375.11
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C14H21N3O7S/c1-14(2,3)16-10(18)7-17(4)11(19)8-23-13(20)9-5-6-12(24-9)25(15,21)22/h5-6H,7-8H2,1-4H3,(H,16,18)(H2,15,21,22)
InChIKeyHOQHXFRVYYYIOS-UHFFFAOYSA-N
XLogP-0.54
TPSA149.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228937
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chlorobenzoate
CID 9014273
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015926
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009280
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289508
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 9492559
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643782
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55402104
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55400918
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8809632

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55643963) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is HOQHXFRVYYYIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O7S/c1-14(2,3)16-10(18)7-17(4)11(19)8-23-13(20)9-5-6-12(24-9)25(15,21)22/h5-6H,7-8H2,1-4H3,(H,16,18)(H2,15,21,22).
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 375.40 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).