2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid

C20H21NO3S — CID 119351837

IUPAC2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(Sc3ccccc3)CCCC2)c1
InChIInChI=1S/C20H21NO3S/c22-18(23)14-15-7-6-8-16(13-15)21-19(24)20(11-4-5-12-20)25-17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,24)(H,22,23)
InChIKeySZFHFQYRAZUHEK-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.36
Rot. Bonds6

About 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid

2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid (PubChem CID 119351837) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
PubChem CID119351837
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(Sc3ccccc3)CCCC2)c1
InChIInChI=1S/C20H21NO3S/c22-18(23)14-15-7-6-8-16(13-15)21-19(24)20(11-4-5-12-20)25-17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,24)(H,22,23)
InChIKeySZFHFQYRAZUHEK-UHFFFAOYSA-N
XLogP4.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 86933683
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 122108126
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832
2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 120530680
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
N-(2-aminoethyl)-1-phenylsulfanylcyclopentane-1-carboxamide
CID 119383808
2-[[3-[(1-methylcyclobutanecarbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 120526278
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 136552003

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid (CID 119351837) is 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2(Sc3ccccc3)CCCC2)c1.
What is the InChIKey of 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is SZFHFQYRAZUHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c22-18(23)14-15-7-6-8-16(13-15)21-19(24)20(11-4-5-12-20)25-17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid?
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 355.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119351837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).