2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid

C10H10ClNO3S — CID 676713

IUPAC2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c11-7-1-3-8(4-2-7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyOFCFMEUPIHMGJB-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.63
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid

2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid (PubChem CID 676713) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
PubChem CID676713
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c11-7-1-3-8(4-2-7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyOFCFMEUPIHMGJB-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
CID 43387626
2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide
CID 5245438
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
CID 7816400
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
CID 115636458
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid (CID 676713) is 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid is O=C(O)CNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid?
The InChIKey is OFCFMEUPIHMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-7-1-3-8(4-2-7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid?
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid has a molecular weight of 259.71 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 676713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).