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

C16H20ClN3O4S — CID 167431027

IUPACN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H20ClN3O4S/c1-2-3-4-12(21)20-16-9(7-11(17)25-16)8-14(23)18-10-5-6-13(22)19-15(10)24/h7,10H,2-6,8H2,1H3,(H,18,23)(H,20,21)(H,19,22,24)
InChIKeyNWNFWOGFZMHTKC-UHFFFAOYSA-N
MW385.87 g/mol
LogP1.99
Rot. Bonds7

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

N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide (PubChem CID 167431027) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
PubChem CID167431027
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H20ClN3O4S/c1-2-3-4-12(21)20-16-9(7-11(17)25-16)8-14(23)18-10-5-6-13(22)19-15(10)24/h7,10H,2-6,8H2,1H3,(H,18,23)(H,20,21)(H,19,22,24)
InChIKeyNWNFWOGFZMHTKC-UHFFFAOYSA-N
XLogP1.99
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 51.99
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

N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide
CID 58780663
(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 70931367
(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone
CID 70931368
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-(pentanoylamino)thiophene-3-carboxamide
CID 156408674
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-(methylamino)thiophene-3-carboxamide
CID 156408911
2-acetamido-5-chloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408929
3-[(4-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720792
N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide
CID 166155394
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431020
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide
CID 167431024
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide
CID 167431031

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]pentanamide?
The IUPAC name of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide (CID 167431027) is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide.
What is the SMILES notation for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide?
The canonical SMILES for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide is CCCCC(=O)Nc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide?
The InChIKey is NWNFWOGFZMHTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-2-3-4-12(21)20-16-9(7-11(17)25-16)8-14(23)18-10-5-6-13(22)19-15(10)24/h7,10H,2-6,8H2,1H3,(H,18,23)(H,20,21)(H,19,22,24).
What are the key properties of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide?
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide has a molecular weight of 385.87 g/mol, XLogP of 1.99, 7 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]pentanamide is sourced from PubChem (CID 167431027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).