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

C19H18ClN3O4S — CID 167431033

IUPACN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide
SMILESO=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C19H18ClN3O4S/c20-14-9-12(10-17(26)21-13-6-7-15(24)22-18(13)27)19(28-14)23-16(25)8-11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,21,26)(H,23,25)(H,22,24,27)
InChIKeyPOOOVKDRNVQRDH-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.05
Rot. Bonds6

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

N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide (PubChem CID 167431033) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide
PubChem CID167431033
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide
SMILESO=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C19H18ClN3O4S/c20-14-9-12(10-17(26)21-13-6-7-15(24)22-18(13)27)19(28-14)23-16(25)8-11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,21,26)(H,23,25)(H,22,24,27)
InChIKeyPOOOVKDRNVQRDH-UHFFFAOYSA-N
XLogP2.05
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.05
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-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-chlorophenyl)thiophen-2-yl)urea
CID 11303495
N-tert-butyl-1-[[5-[[2-(2-chlorophenyl)acetyl]amino]thiophen-3-yl]methyl]piperidine-4-carboxamide
CID 129626157
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-1-ium-3-yl]thiophene-3-carboxamide
CID 72200343
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 17434731
N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 56814058
(2S)-N-[2-(tert-butylamino)acetyl]-N-(5-chlorothiophen-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 53928715
5-[(2-chloro-4-fluorobenzoyl)amino]-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 55729606
2-chloro-N-[5-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]-4-fluorobenzamide
CID 55788509
2-chloro-4-fluoro-N-[4-methyl-5-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55789302
5-[(2-chlorobenzoyl)amino]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
CID 55824725
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 55873918

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide (CID 167431033) is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide is O=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)Cc2ccccc2)C(=O)N1.
What is the InChIKey of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide?
The InChIKey is POOOVKDRNVQRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c20-14-9-12(10-17(26)21-13-6-7-15(24)22-18(13)27)19(28-14)23-16(25)8-11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,21,26)(H,23,25)(H,22,24,27).
What are the key properties of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide?
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide has a molecular weight of 419.89 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide is sourced from PubChem (CID 167431033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).