(2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide

C14H16ClN3O5S — CID 167431089

IUPAC(2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H16ClN3O5S/c1-6(19)12(22)18-14-7(4-9(15)24-14)5-11(21)16-8-2-3-10(20)17-13(8)23/h4,6,8,19H,2-3,5H2,1H3,(H,16,21)(H,18,22)(H,17,20,23)/t6-,8?/m0/s1
InChIKeySQYFBXZNJGNZFX-UUEFVBAFSA-N
MW373.82 g/mol
LogP0.18
Rot. Bonds5

About (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide

(2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide (PubChem CID 167431089) has the molecular formula C14H16ClN3O5S and a molecular weight of 373.82 g/mol. Its IUPAC name is (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide
PubChem CID167431089
Molecular FormulaC14H16ClN3O5S
Molecular Weight373.82 g/mol
Exact Mass373.05
IUPAC Name(2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H16ClN3O5S/c1-6(19)12(22)18-14-7(4-9(15)24-14)5-11(21)16-8-2-3-10(20)17-13(8)23/h4,6,8,19H,2-3,5H2,1H3,(H,16,21)(H,18,22)(H,17,20,23)/t6-,8?/m0/s1
InChIKeySQYFBXZNJGNZFX-UUEFVBAFSA-N
XLogP0.18
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide 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

5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-[[(2S)-2-hydroxypropanoyl]amino]thiophene-3-carboxamide
CID 156408554
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-(2-hydroxypropanoylamino)thiophene-3-carboxamide
CID 156408556
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
CID 167431027
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide
CID 167431031
2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431053
2-(2-acetamido-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431057
2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431068

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide (CID 167431089) is (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide is C[C@H](O)C(=O)Nc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide?
The InChIKey is SQYFBXZNJGNZFX-UUEFVBAFSA-N. The full InChI is InChI=1S/C14H16ClN3O5S/c1-6(19)12(22)18-14-7(4-9(15)24-14)5-11(21)16-8-2-3-10(20)17-13(8)23/h4,6,8,19H,2-3,5H2,1H3,(H,16,21)(H,18,22)(H,17,20,23)/t6-,8?/m0/s1.
What are the key properties of (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide?
(2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide has a molecular weight of 373.82 g/mol, XLogP of 0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide is sourced from PubChem (CID 167431089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).