2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

C19H19N3O4S — CID 167431022

IUPAC2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(-c2ccccc2)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C19H19N3O4S/c1-11(23)20-19-13(9-15(27-19)12-5-3-2-4-6-12)10-17(25)21-14-7-8-16(24)22-18(14)26/h2-6,9,14H,7-8,10H2,1H3,(H,20,23)(H,21,25)(H,22,24,26)
InChIKeyUREOLBWSKBYEGI-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.84
Rot. Bonds5

About 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431022) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431022
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(-c2ccccc2)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C19H19N3O4S/c1-11(23)20-19-13(9-15(27-19)12-5-3-2-4-6-12)10-17(25)21-14-7-8-16(24)22-18(14)26/h2-6,9,14H,7-8,10H2,1H3,(H,20,23)(H,21,25)(H,22,24,26)
InChIKeyUREOLBWSKBYEGI-UHFFFAOYSA-N
XLogP1.84
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
(S)-1-(3-(piperidin-3-ylcarbamoyl)-5-p-tolylthiophen-2-yl)urea
CID 44560524
(S)-1-(5-(4-(methylcarbamoyl)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 44560668
(R)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 44560705
(R)-1-(3-((1-methylpiperidin-3-yl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560706
5-Phenyl-2-(2-piperidylacetylamino)thiophene-3-carboxamide
CID 705195
N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 20940440
4-Phenyl-5-piperidino-N~2~-propyl-2-thiophenecarboxamide
CID 20940443
2-amino-N-[2-[(3-benzoyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl]acetamide
CID 44377839
2-(carbamoylamino)-5-phenyl-N-[(3S)-piperidin-1-ium-3-yl]thiophene-3-carboxamide
CID 72199646
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-thiophen-2-ylpropanamide
CID 72130181
2-(2-(4-Methylpiperidin-1-yl)acetamido)-5-phenylthiophene-3-carboxamide
CID 1072710

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431022) is 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is CC(=O)Nc1sc(-c2ccccc2)cc1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is UREOLBWSKBYEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11(23)20-19-13(9-15(27-19)12-5-3-2-4-6-12)10-17(25)21-14-7-8-16(24)22-18(14)26/h2-6,9,14H,7-8,10H2,1H3,(H,20,23)(H,21,25)(H,22,24,26).
What are the key properties of 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).