2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid

C14H11NO5S — CID 43169841

IUPAC2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
SMILESO=C(CSc1ccccc1C(=O)O)NC(=O)c1ccco1
InChIInChI=1S/C14H11NO5S/c16-12(15-13(17)10-5-3-7-20-10)8-21-11-6-2-1-4-9(11)14(18)19/h1-7H,8H2,(H,18,19)(H,15,16,17)
InChIKeyYMTPAABZVZPTAA-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid

2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid (PubChem CID 43169841) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid.

Molecular Properties

Compound Name2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
PubChem CID43169841
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
SMILESO=C(CSc1ccccc1C(=O)O)NC(=O)c1ccco1
InChIInChI=1S/C14H11NO5S/c16-12(15-13(17)10-5-3-7-20-10)8-21-11-6-2-1-4-9(11)14(18)19/h1-7H,8H2,(H,18,19)(H,15,16,17)
InChIKeyYMTPAABZVZPTAA-UHFFFAOYSA-N
XLogP2.03
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
CID 43304156
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300668
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238211
N-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]furan-2-carboxamide
CID 17417257
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238214

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid?
The IUPAC name of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid (CID 43169841) is 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid.
What is the SMILES notation for 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid?
The canonical SMILES for 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid is O=C(CSc1ccccc1C(=O)O)NC(=O)c1ccco1.
What is the InChIKey of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid?
The InChIKey is YMTPAABZVZPTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5S/c16-12(15-13(17)10-5-3-7-20-10)8-21-11-6-2-1-4-9(11)14(18)19/h1-7H,8H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid?
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid has a molecular weight of 305.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid is sourced from PubChem (CID 43169841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).