N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide

C12H18N2O4S — CID 103711886

IUPACN-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4S/c1-12(17,8-19-2)7-14-10(15)6-13-11(16)9-4-3-5-18-9/h3-5,17H,6-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVEVGSFSQOCTUKE-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.24
Rot. Bonds7

About N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 103711886) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID103711886
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4S/c1-12(17,8-19-2)7-14-10(15)6-13-11(16)9-4-3-5-18-9/h3-5,17H,6-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVEVGSFSQOCTUKE-UHFFFAOYSA-N
XLogP0.24
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(furan-2-carbonylamino)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003494
2-fluoro-N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]benzamide
CID 103711880
N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 43390516
1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437101
4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517
N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709146
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide
CID 71875126

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 103711886) is N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide is CSCC(C)(O)CNC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VEVGSFSQOCTUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-12(17,8-19-2)7-14-10(15)6-13-11(16)9-4-3-5-18-9/h3-5,17H,6-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 103711886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).