N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide

C15H23N3O4S2 — CID 167261002

IUPACN-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCN(CCN1C(=O)CSC1=O)C(=O)CSCC(=O)NCC1CCC1
InChIInChI=1S/C15H23N3O4S2/c1-17(5-6-18-14(21)10-24-15(18)22)13(20)9-23-8-12(19)16-7-11-3-2-4-11/h11H,2-10H2,1H3,(H,16,19)
InChIKeyAGZDRTJKEYFODA-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.79
Rot. Bonds9

About N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide

N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 167261002) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID167261002
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC NameN-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCN(CCN1C(=O)CSC1=O)C(=O)CSCC(=O)NCC1CCC1
InChIInChI=1S/C15H23N3O4S2/c1-17(5-6-18-14(21)10-24-15(18)22)13(20)9-23-8-12(19)16-7-11-3-2-4-11/h11H,2-10H2,1H3,(H,16,19)
InChIKeyAGZDRTJKEYFODA-UHFFFAOYSA-N
XLogP0.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 139516883
N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide
CID 139516894
2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
CID 139516940
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 139516961
N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 139517011
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 139517040
N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide
CID 139517046
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 139517068
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 139517092
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide
CID 139517095
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
CID 139517098
2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen
CID 153346697

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide (CID 167261002) is N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide is CN(CCN1C(=O)CSC1=O)C(=O)CSCC(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is AGZDRTJKEYFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-17(5-6-18-14(21)10-24-15(18)22)13(20)9-23-8-12(19)16-7-11-3-2-4-11/h11H,2-10H2,1H3,(H,16,19).
What are the key properties of N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 373.50 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 167261002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).