2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid

C10H11NO3S — CID 24694851

IUPAC2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
SMILESNC(=O)c1ccccc1CSCC(=O)O
InChIInChI=1S/C10H11NO3S/c11-10(14)8-4-2-1-3-7(8)5-15-6-9(12)13/h1-4H,5-6H2,(H2,11,14)(H,12,13)
InChIKeyYORWEXREYLIPOM-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.10
Rot. Bonds5

About 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid

2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid (PubChem CID 24694851) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
PubChem CID24694851
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
SMILESNC(=O)c1ccccc1CSCC(=O)O
InChIInChI=1S/C10H11NO3S/c11-10(14)8-4-2-1-3-7(8)5-15-6-9(12)13/h1-4H,5-6H2,(H2,11,14)(H,12,13)
InChIKeyYORWEXREYLIPOM-UHFFFAOYSA-N
XLogP1.10
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)sulfanylmethyl]benzoic acid
CID 82177510
2-(2-aminopropylsulfanylmethyl)benzamide
CID 66218202
methyl 3-[(2-carbamoylphenyl)methylsulfanyl]-2-methylpropanoate
CID 66113999
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 126032735
benzene;(2-carbamoylphenyl)methyl formate
CID 174940813
2-[2-(2-ethylphenyl)-2-oxoethyl]sulfanylacetic acid
CID 146004427
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-[(2-iodophenyl)methylsulfanyl]acetamide
CID 23089127
2-(ethylsulfanylmethyl)benzoic acid
CID 12757760
2-[(4-carbamoyl-2-methylphenyl)methylsulfanyl]acetic acid
CID 114479212

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid (CID 24694851) is 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid is NC(=O)c1ccccc1CSCC(=O)O.
What is the InChIKey of 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid?
The InChIKey is YORWEXREYLIPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c11-10(14)8-4-2-1-3-7(8)5-15-6-9(12)13/h1-4H,5-6H2,(H2,11,14)(H,12,13).
What are the key properties of 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid?
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid has a molecular weight of 225.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid is sourced from PubChem (CID 24694851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).