5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide

C15H22N2O4S2 — CID 97434697

IUPAC5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)cs1
InChIInChI=1S/C15H22N2O4S2/c1-11(18)14-9-12(10-22-14)15(19)16-7-6-13-5-3-4-8-17(13)23(2,20)21/h9-10,13H,3-8H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyJRZIGHWEEDIVSE-CYBMUJFWSA-N
MW358.49 g/mol
LogP1.88
Rot. Bonds6

About 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide

5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide (PubChem CID 97434697) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide
PubChem CID97434697
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)cs1
InChIInChI=1S/C15H22N2O4S2/c1-11(18)14-9-12(10-22-14)15(19)16-7-6-13-5-3-4-8-17(13)23(2,20)21/h9-10,13H,3-8H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyJRZIGHWEEDIVSE-CYBMUJFWSA-N
XLogP1.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
CID 118785685
5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 125179595
N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 138387134
2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97436873
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70754305
N-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7600931
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
CID 72907620
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide
CID 51894945
N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 118786414
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125179867

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide (CID 97434697) is 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)cs1.
What is the InChIKey of 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is JRZIGHWEEDIVSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-11(18)14-9-12(10-22-14)15(19)16-7-6-13-5-3-4-8-17(13)23(2,20)21/h9-10,13H,3-8H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide?
5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 97434697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).