N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide

C16H21N3O4S — CID 7627719

IUPACN-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21N3O4S/c20-15(17-12-4-1-2-5-12)16(21)18-13-6-8-14(9-7-13)19-10-3-11-24(19,22)23/h6-9,12H,1-5,10-11H2,(H,17,20)(H,18,21)
InChIKeyYAPOTLUNBXARCL-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.22
Rot. Bonds3

About N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide

N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide (PubChem CID 7627719) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
PubChem CID7627719
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21N3O4S/c20-15(17-12-4-1-2-5-12)16(21)18-13-6-8-14(9-7-13)19-10-3-11-24(19,22)23/h6-9,12H,1-5,10-11H2,(H,17,20)(H,18,21)
InChIKeyYAPOTLUNBXARCL-UHFFFAOYSA-N
XLogP1.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
N-cycloheptyl-N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]oxamide
CID 45492358
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
CID 60545704
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperidine-3-carboxamide
CID 119276641
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55442446
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276622
2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42932786

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide (CID 7627719) is N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide?
The InChIKey is YAPOTLUNBXARCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c20-15(17-12-4-1-2-5-12)16(21)18-13-6-8-14(9-7-13)19-10-3-11-24(19,22)23/h6-9,12H,1-5,10-11H2,(H,17,20)(H,18,21).
What are the key properties of N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide?
N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide has a molecular weight of 351.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide is sourced from PubChem (CID 7627719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).