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

C20H21N3O4S — CID 167431051

IUPACN-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CC(=O)NC2CCC(=O)NC2=O)c1C
InChIInChI=1S/C20H21N3O4S/c1-11-12(2)28-20(23-18(26)13-6-4-3-5-7-13)14(11)10-17(25)21-15-8-9-16(24)22-19(15)27/h3-7,15H,8-10H2,1-2H3,(H,21,25)(H,23,26)(H,22,24,27)
InChIKeyYQQFDVDMOUPYML-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.08
Rot. Bonds5

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

N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 167431051) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID167431051
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CC(=O)NC2CCC(=O)NC2=O)c1C
InChIInChI=1S/C20H21N3O4S/c1-11-12(2)28-20(23-18(26)13-6-4-3-5-7-13)14(11)10-17(25)21-15-8-9-16(24)22-19(15)27/h3-7,15H,8-10H2,1-2H3,(H,21,25)(H,23,26)(H,22,24,27)
InChIKeyYQQFDVDMOUPYML-UHFFFAOYSA-N
XLogP2.08
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.08
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
2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
CID 1442554
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
(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
N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2792206
2-Benzoylamino-4,5-dimethyl-thiophene-3-carboxylic acid diethylamide
CID 724942
N-[4,5-dimethyl-3-(1-piperidinylmethyl)-2-thienyl]-2-fluorobenzamide
CID 852250
5-Methyl-thiophene-2-carboxylic acid cyclohexylcarbamoylmethyl-p-tolyl-amide
CID 1442193
5-Methyl-thiophene-2-carboxylic acid cyclohexylcarbamoylmethyl-m-tolyl-amide
CID 1442219

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 167431051) is N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(CC(=O)NC2CCC(=O)NC2=O)c1C.
What is the InChIKey of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is YQQFDVDMOUPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-11-12(2)28-20(23-18(26)13-6-4-3-5-7-13)14(11)10-17(25)21-15-8-9-16(24)22-19(15)27/h3-7,15H,8-10H2,1-2H3,(H,21,25)(H,23,26)(H,22,24,27).
What are the key properties of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 167431051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).