1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

C13H19N3O4S2 — CID 154774764

IUPAC1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C13H19N3O4S2/c1-9(17)15-8-11-2-3-12(21-11)22(19,20)16-6-4-10(5-7-16)13(14)18/h2-3,10H,4-8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyWHPUVDYFFDXFFF-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.27
Rot. Bonds5

About 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 154774764) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID154774764
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC Name1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C13H19N3O4S2/c1-9(17)15-8-11-2-3-12(21-11)22(19,20)16-6-4-10(5-7-16)13(14)18/h2-3,10H,4-8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyWHPUVDYFFDXFFF-UHFFFAOYSA-N
XLogP0.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide
CID 52522518
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 120778263
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502
1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154148
N-[[5-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122340614
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789

Frequently Asked Questions

What is the IUPAC name of 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (CID 154774764) is 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)s1.
What is the InChIKey of 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is WHPUVDYFFDXFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c1-9(17)15-8-11-2-3-12(21-11)22(19,20)16-6-4-10(5-7-16)13(14)18/h2-3,10H,4-8H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 154774764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).