5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide

C15H18N4O4S — CID 156745125

IUPAC5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide
SMILESC=C1CCC(NC(=O)c2cc(C(=O)NC)sc2NC(C)=O)C(=O)N1
InChIInChI=1S/C15H18N4O4S/c1-7-4-5-10(13(22)17-7)19-12(21)9-6-11(14(23)16-3)24-15(9)18-8(2)20/h6,10H,1,4-5H2,2-3H3,(H,16,23)(H,17,22)(H,18,20)(H,19,21)
InChIKeyKNKWJHKEIRVQKX-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.59
Rot. Bonds4

About 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide

5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide (PubChem CID 156745125) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide
PubChem CID156745125
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide
SMILESC=C1CCC(NC(=O)c2cc(C(=O)NC)sc2NC(C)=O)C(=O)N1
InChIInChI=1S/C15H18N4O4S/c1-7-4-5-10(13(22)17-7)19-12(21)9-6-11(14(23)16-3)24-15(9)18-8(2)20/h6,10H,1,4-5H2,2-3H3,(H,16,23)(H,17,22)(H,18,20)(H,19,21)
InChIKeyKNKWJHKEIRVQKX-UHFFFAOYSA-N
XLogP0.59
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 30698517
2-amino-N-butyl-5-methylthiophene-3-carboxamide
CID 134138831
(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-[[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9431551
2-[[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9431552
2-[[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9431554
2-[[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9431555
2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide
CID 39162713
N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
CID 39162715

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide (CID 156745125) is 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide is C=C1CCC(NC(=O)c2cc(C(=O)NC)sc2NC(C)=O)C(=O)N1.
What is the InChIKey of 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide?
The InChIKey is KNKWJHKEIRVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-7-4-5-10(13(22)17-7)19-12(21)9-6-11(14(23)16-3)24-15(9)18-8(2)20/h6,10H,1,4-5H2,2-3H3,(H,16,23)(H,17,22)(H,18,20)(H,19,21).
What are the key properties of 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide?
5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide has a molecular weight of 350.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 156745125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).