3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide

C22H24N2O3S — CID 55453255

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC(c1ccc2c(c1)CCCC2)c1cccs1
InChIInChI=1S/C22H24N2O3S/c25-19(11-12-24-20(26)9-10-21(24)27)23-22(18-6-3-13-28-18)17-8-7-15-4-1-2-5-16(15)14-17/h3,6-8,13-14,22H,1-2,4-5,9-12H2,(H,23,25)
InChIKeyMHZAMTMXQXRZFA-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.37
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide (PubChem CID 55453255) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
PubChem CID55453255
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC(c1ccc2c(c1)CCCC2)c1cccs1
InChIInChI=1S/C22H24N2O3S/c25-19(11-12-24-20(26)9-10-21(24)27)23-22(18-6-3-13-28-18)17-8-7-15-4-1-2-5-16(15)14-17/h3,6-8,13-14,22H,1-2,4-5,9-12H2,(H,23,25)
InChIKeyMHZAMTMXQXRZFA-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553076
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 30906519
3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55501382
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31981402
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]butanamide
CID 24553099
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31710027
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 24553080
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 60586091
2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 42951570
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553091

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide (CID 55453255) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide is O=C(CCN1C(=O)CCC1=O)NC(c1ccc2c(c1)CCCC2)c1cccs1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
The InChIKey is MHZAMTMXQXRZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-19(11-12-24-20(26)9-10-21(24)27)23-22(18-6-3-13-28-18)17-8-7-15-4-1-2-5-16(15)14-17/h3,6-8,13-14,22H,1-2,4-5,9-12H2,(H,23,25).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide has a molecular weight of 396.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 55453255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).