2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C14H23N3O4S2 — CID 167260939

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)SCC1O
InChIInChI=1S/C14H23N3O4S2/c18-11(15-4-5-17-13(20)9-23-14(17)21)7-22-8-12(19)16-6-10-2-1-3-10/h10,13,20H,1-9H2,(H,15,18)(H,16,19)
InChIKeyHCCVMPUPQQWVCA-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.24
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 167260939) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID167260939
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)SCC1O
InChIInChI=1S/C14H23N3O4S2/c18-11(15-4-5-17-13(20)9-23-14(17)21)7-22-8-12(19)16-6-10-2-1-3-10/h10,13,20H,1-9H2,(H,15,18)(H,16,19)
InChIKeyHCCVMPUPQQWVCA-UHFFFAOYSA-N
XLogP0.24
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethyl]-2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanylacetamide
CID 139516972
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 139516961
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 167261261
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 139516928
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
CID 167261492
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 139516916
2-[2-[2-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139512107
2-[2-[2-[(3S)-3-hydroxy-2-oxopiperidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516887
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506369
2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 170372445
N-(2-cyclobutylethyl)-2-(cyclopropylmethylamino)acetamide
CID 115739981
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 167260939) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide is O=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)SCC1O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is HCCVMPUPQQWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c18-11(15-4-5-17-13(20)9-23-14(17)21)7-22-8-12(19)16-6-10-2-1-3-10/h10,13,20H,1-9H2,(H,15,18)(H,16,19).
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 167260939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).