5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide

C18H22N4O4S — CID 171788960

IUPAC5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(C(NC2CCC(=O)NC2=O)=C2CCC2)c(NC(C)=O)s1
InChIInChI=1S/C18H22N4O4S/c1-9(23)20-18-11(8-13(27-18)17(26)19-2)15(10-4-3-5-10)21-12-6-7-14(24)22-16(12)25/h8,12,21H,3-7H2,1-2H3,(H,19,26)(H,20,23)(H,22,24,25)
InChIKeyMYWOAKSVQKRUNG-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.36
Rot. Bonds5

About 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide

5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide (PubChem CID 171788960) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide
PubChem CID171788960
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(C(NC2CCC(=O)NC2=O)=C2CCC2)c(NC(C)=O)s1
InChIInChI=1S/C18H22N4O4S/c1-9(23)20-18-11(8-13(27-18)17(26)19-2)15(10-4-3-5-10)21-12-6-7-14(24)22-16(12)25/h8,12,21H,3-7H2,1-2H3,(H,19,26)(H,20,23)(H,22,24,25)
InChIKeyMYWOAKSVQKRUNG-UHFFFAOYSA-N
XLogP1.36
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-amino-1-({2-[(2,2-dimethylpropanoyl)amino]-5-methyl-3-thienyl}carbonyl)-N-methyl-L-prolinamide
CID 56703857
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156745068
2-acetamido-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 167232717
2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431021
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 171788475
2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide
CID 67077567
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide
CID 67077777
2-[(1-Acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide
CID 70159876
N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide
CID 89100046
5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 143163424
2-benzamido-N-(2,6-dioxopiperidin-3-yl)-4,5-dimethylthiophene-3-carboxamide
CID 156408359

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide (CID 171788960) is 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide is CNC(=O)c1cc(C(NC2CCC(=O)NC2=O)=C2CCC2)c(NC(C)=O)s1.
What is the InChIKey of 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is MYWOAKSVQKRUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-9(23)20-18-11(8-13(27-18)17(26)19-2)15(10-4-3-5-10)21-12-6-7-14(24)22-16(12)25/h8,12,21H,3-7H2,1-2H3,(H,19,26)(H,20,23)(H,22,24,25).
What are the key properties of 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide?
5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 171788960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).