N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide

C17H23N3O4S — CID 7638992

IUPACN-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O4S/c1-12-7-8-14(20-9-4-10-25(20,23)24)11-15(12)19-17(22)16(21)18-13-5-2-3-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyFWVSJRLWFCDUDS-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.53
Rot. Bonds3

About N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide

N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide (PubChem CID 7638992) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide
PubChem CID7638992
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O4S/c1-12-7-8-14(20-9-4-10-25(20,23)24)11-15(12)19-17(22)16(21)18-13-5-2-3-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyFWVSJRLWFCDUDS-UHFFFAOYSA-N
XLogP1.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide (CID 7638992) is N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
The InChIKey is FWVSJRLWFCDUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-7-8-14(20-9-4-10-25(20,23)24)11-15(12)19-17(22)16(21)18-13-5-2-3-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide has a molecular weight of 365.46 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide is sourced from PubChem (CID 7638992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).