2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid

C10H13NO6S — CID 114217765

IUPAC2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid
SMILESCS(=O)(=O)CCNC(=O)c1ccoc1CC(=O)O
InChIInChI=1S/C10H13NO6S/c1-18(15,16)5-3-11-10(14)7-2-4-17-8(7)6-9(12)13/h2,4H,3,5-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyKYFFWCHAKVFLJA-UHFFFAOYSA-N
MW275.28 g/mol
LogP-0.32
Rot. Bonds6

About 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid

2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid (PubChem CID 114217765) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid
PubChem CID114217765
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid
SMILESCS(=O)(=O)CCNC(=O)c1ccoc1CC(=O)O
InChIInChI=1S/C10H13NO6S/c1-18(15,16)5-3-11-10(14)7-2-4-17-8(7)6-9(12)13/h2,4H,3,5-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyKYFFWCHAKVFLJA-UHFFFAOYSA-N
XLogP-0.32
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
CID 114217757
2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid
CID 114217905
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid
CID 114217782
2-[[2-(3-methylsulfonylpropylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119181851
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
2-[3-[methyl-[3-(methylamino)propyl]carbamoyl]furan-2-yl]acetic acid
CID 114217843
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
CID 114217885
N-(4-chloropentyl)-2-ethylfuran-3-carboxamide
CID 106129706
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid (CID 114217765) is 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid is CS(=O)(=O)CCNC(=O)c1ccoc1CC(=O)O.
What is the InChIKey of 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid?
The InChIKey is KYFFWCHAKVFLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-18(15,16)5-3-11-10(14)7-2-4-17-8(7)6-9(12)13/h2,4H,3,5-6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid?
2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid has a molecular weight of 275.28 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid is sourced from PubChem (CID 114217765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).