2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide

C14H14F3N3O3S — CID 156745068

IUPAC2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESC=C1CCC(NC(=O)c2cc(C(F)(F)F)sc2NC(C)=O)C(=O)N1
InChIInChI=1S/C14H14F3N3O3S/c1-6-3-4-9(12(23)18-6)20-11(22)8-5-10(14(15,16)17)24-13(8)19-7(2)21/h5,9H,1,3-4H2,2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyMMCXSYNORKUCRH-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.25
Rot. Bonds3

About 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide

2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 156745068) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID156745068
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESC=C1CCC(NC(=O)c2cc(C(F)(F)F)sc2NC(C)=O)C(=O)N1
InChIInChI=1S/C14H14F3N3O3S/c1-6-3-4-9(12(23)18-6)20-11(22)8-5-10(14(15,16)17)24-13(8)19-7(2)21/h5,9H,1,3-4H2,2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyMMCXSYNORKUCRH-UHFFFAOYSA-N
XLogP2.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 30698517
(4S)-4-amino-1-({2-[(2,2-dimethylpropanoyl)amino]-5-methyl-3-thienyl}carbonyl)-N-methyl-L-prolinamide
CID 56703857
5-Methyl-2-[(4,4,4-trifluorobutyryl)amino]thiophene-3-carboxamide
CID 57517990
N-[2-(4,4-difluoropiperidin-1-yl)acetyl]-4-methyl-2-(methylamino)-5-(4-phenylpiperazine-1-carbonyl)thiophene-3-carboxamide
CID 71049635
2-Acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 134352894
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
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-[[2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8548208
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9370522
2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9370523

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide (CID 156745068) is 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide is C=C1CCC(NC(=O)c2cc(C(F)(F)F)sc2NC(C)=O)C(=O)N1.
What is the InChIKey of 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is MMCXSYNORKUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-6-3-4-9(12(23)18-6)20-11(22)8-5-10(14(15,16)17)24-13(8)19-7(2)21/h5,9H,1,3-4H2,2H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide?
2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 156745068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).