2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide

C14H22N2O3S2 — CID 164639538

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide
SMILESCCN(C(=O)CN1CCCS1(=O)=O)[C@@H](C)Cc1ccsc1
InChIInChI=1S/C14H22N2O3S2/c1-3-16(12(2)9-13-5-7-20-11-13)14(17)10-15-6-4-8-21(15,18)19/h5,7,11-12H,3-4,6,8-10H2,1-2H3/t12-/m0/s1
InChIKeyUZZSWLMGEUEZGL-LBPRGKRZSA-N
MW330.47 g/mol
LogP1.56
Rot. Bonds6

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide (PubChem CID 164639538) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide
PubChem CID164639538
Molecular FormulaC14H22N2O3S2
Molecular Weight330.47 g/mol
Exact Mass330.11
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide
SMILESCCN(C(=O)CN1CCCS1(=O)=O)[C@@H](C)Cc1ccsc1
InChIInChI=1S/C14H22N2O3S2/c1-3-16(12(2)9-13-5-7-20-11-13)14(17)10-15-6-4-8-21(15,18)19/h5,7,11-12H,3-4,6,8-10H2,1-2H3/t12-/m0/s1
InChIKeyUZZSWLMGEUEZGL-LBPRGKRZSA-N
XLogP1.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide (CID 164639538) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide is CCN(C(=O)CN1CCCS1(=O)=O)[C@@H](C)Cc1ccsc1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide?
The InChIKey is UZZSWLMGEUEZGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-16(12(2)9-13-5-7-20-11-13)14(17)10-15-6-4-8-21(15,18)19/h5,7,11-12H,3-4,6,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]acetamide is sourced from PubChem (CID 164639538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).