N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide

C19H22N2O2S — CID 177193234

IUPACN-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccccc1C1CCCC1C(=O)Nc1cccc(SN)c1
InChIInChI=1S/C19H22N2O2S/c1-23-18-11-3-2-8-16(18)15-9-5-10-17(15)19(22)21-13-6-4-7-14(12-13)24-20/h2-4,6-8,11-12,15,17H,5,9-10,20H2,1H3,(H,21,22)
InChIKeyORHUASFGRSNHMF-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.18
Rot. Bonds5

About N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide

N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 177193234) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID177193234
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccccc1C1CCCC1C(=O)Nc1cccc(SN)c1
InChIInChI=1S/C19H22N2O2S/c1-23-18-11-3-2-8-16(18)15-9-5-10-17(15)19(22)21-13-6-4-7-14(12-13)24-20/h2-4,6-8,11-12,15,17H,5,9-10,20H2,1H3,(H,21,22)
InChIKeyORHUASFGRSNHMF-UHFFFAOYSA-N
XLogP4.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide 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

N-(3-aminosulfanylphenyl)cycloheptanecarboxamide;1,2-difluoro-3-methoxybenzene
CID 177192646
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
N-(2-aminosulfanyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 177192159
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 95283593
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99800995
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99801001
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55584408
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449

Frequently Asked Questions

What is the IUPAC name of N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide (CID 177193234) is N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccccc1C1CCCC1C(=O)Nc1cccc(SN)c1.
What is the InChIKey of N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is ORHUASFGRSNHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-18-11-3-2-8-16(18)15-9-5-10-17(15)19(22)21-13-6-4-7-14(12-13)24-20/h2-4,6-8,11-12,15,17H,5,9-10,20H2,1H3,(H,21,22).
What are the key properties of N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide?
N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminosulfanylphenyl)-2-(2-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 177193234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).