N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide

C14H21N3O4S — CID 167261333

IUPACN-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide
SMILESO=C(CCCNC(=O)CN1C(=O)CSC1=O)NCC1CCC1
InChIInChI=1S/C14H21N3O4S/c18-11(16-7-10-3-1-4-10)5-2-6-15-12(19)8-17-13(20)9-22-14(17)21/h10H,1-9H2,(H,15,19)(H,16,18)
InChIKeyWPMWOHSPNOTAMM-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.49
Rot. Bonds8

About N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide

N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide (PubChem CID 167261333) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide
PubChem CID167261333
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide
SMILESO=C(CCCNC(=O)CN1C(=O)CSC1=O)NCC1CCC1
InChIInChI=1S/C14H21N3O4S/c18-11(16-7-10-3-1-4-10)5-2-6-15-12(19)8-17-13(20)9-22-14(17)21/h10H,1-9H2,(H,15,19)(H,16,18)
InChIKeyWPMWOHSPNOTAMM-UHFFFAOYSA-N
XLogP0.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide?
The IUPAC name of N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide (CID 167261333) is N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide is O=C(CCCNC(=O)CN1C(=O)CSC1=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide?
The InChIKey is WPMWOHSPNOTAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c18-11(16-7-10-3-1-4-10)5-2-6-15-12(19)8-17-13(20)9-22-14(17)21/h10H,1-9H2,(H,15,19)(H,16,18).
What are the key properties of N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide?
N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide has a molecular weight of 327.41 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-[[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]amino]butanamide is sourced from PubChem (CID 167261333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).