N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide

C23H25N3O3S — CID 156745064

IUPACN-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(NC2CCC(=O)NC2=O)=C2CCC2)c1C
InChIInChI=1S/C23H25N3O3S/c1-13-14(2)30-23(26-21(28)16-7-4-3-5-8-16)19(13)20(15-9-6-10-15)24-17-11-12-18(27)25-22(17)29/h3-5,7-8,17,24H,6,9-12H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyBODWPOSWDPRXRZ-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.91
Rot. Bonds5

About N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 156745064) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID156745064
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(NC2CCC(=O)NC2=O)=C2CCC2)c1C
InChIInChI=1S/C23H25N3O3S/c1-13-14(2)30-23(26-21(28)16-7-4-3-5-8-16)19(13)20(15-9-6-10-15)24-17-11-12-18(27)25-22(17)29/h3-5,7-8,17,24H,6,9-12H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyBODWPOSWDPRXRZ-UHFFFAOYSA-N
XLogP3.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.91
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-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-{4,5-dimethyl-3-[(2-methyl-1-piperidinyl)methyl]-2-thienyl}-2-fluorobenzamide
CID 4395058
N-[4,5-dimethyl-3-(1-piperidinylmethyl)-2-thienyl]-2-fluorobenzamide
CID 852250
2-[2-(Benzyl-isobutyryl-amino)-acetylamino]-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 1460381
6-acetyl-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5091626
2-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]thiophene-3-carboxamide
CID 8083216
6-Isopropyl-2-(3-phenylpropanamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16195034
2-[[2-[(3-Methylbenzoyl)amino]-4-methylsulfanylbutanoyl]amino]thiophene-3-carboxamide
CID 16276663
2-{2-[Cyclopentyl-(4-methyl-benzoyl)-amino]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 24792367
2-{2-[Cyclopentyl-(2-methyl-benzoyl)-amino]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 24792389
5-Phenyl-2-(2-piperidylacetylamino)thiophene-3-carboxamide
CID 705195

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 156745064) is N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(C(NC2CCC(=O)NC2=O)=C2CCC2)c1C.
What is the InChIKey of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is BODWPOSWDPRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-13-14(2)30-23(26-21(28)16-7-4-3-5-8-16)19(13)20(15-9-6-10-15)24-17-11-12-18(27)25-22(17)29/h3-5,7-8,17,24H,6,9-12H2,1-2H3,(H,26,28)(H,25,27,29).
What are the key properties of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 423.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 156745064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).