1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid

C19H24N2O4S — CID 56800512

IUPAC1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C19H24N2O4S/c22-16(13-19(18(24)25)6-1-2-7-19)20-15-5-3-4-14(12-15)17(23)21-8-10-26-11-9-21/h3-5,12H,1-2,6-11,13H2,(H,20,22)(H,24,25)
InChIKeyKFCLEBITPDXLBX-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 56800512) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID56800512
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C19H24N2O4S/c22-16(13-19(18(24)25)6-1-2-7-19)20-15-5-3-4-14(12-15)17(23)21-8-10-26-11-9-21/h3-5,12H,1-2,6-11,13H2,(H,20,22)(H,24,25)
InChIKeyKFCLEBITPDXLBX-UHFFFAOYSA-N
XLogP2.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 119309628
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 120561677
2-[bis(2-methylpropyl)amino]-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 52855772
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119309623
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108640
5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 110353707
3-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]thiolane-3-carboxylic acid
CID 49247310
5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 55868816

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid (CID 56800512) is 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1cccc(C(=O)N2CCSCC2)c1.
What is the InChIKey of 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is KFCLEBITPDXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-16(13-19(18(24)25)6-1-2-7-19)20-15-5-3-4-14(12-15)17(23)21-8-10-26-11-9-21/h3-5,12H,1-2,6-11,13H2,(H,20,22)(H,24,25).
What are the key properties of 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 376.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 56800512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).