5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide

C19H23N3O4S2 — CID 24609619

IUPAC5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H23N3O4S2/c1-13-3-5-16(6-4-13)28(25,26)22-11-9-15(10-12-22)21-19(24)17-7-8-18(27-17)20-14(2)23/h3-8,15H,9-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGJMHGDYHDRUHEV-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.60
Rot. Bonds5

About 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide

5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide (PubChem CID 24609619) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
PubChem CID24609619
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H23N3O4S2/c1-13-3-5-16(6-4-13)28(25,26)22-11-9-15(10-12-22)21-19(24)17-7-8-18(27-17)20-14(2)23/h3-8,15H,9-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGJMHGDYHDRUHEV-UHFFFAOYSA-N
XLogP2.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49460452
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24590497
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 24611592
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide (CID 24609619) is 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1.
What is the InChIKey of 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is GJMHGDYHDRUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-13-3-5-16(6-4-13)28(25,26)22-11-9-15(10-12-22)21-19(24)17-7-8-18(27-17)20-14(2)23/h3-8,15H,9-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide?
5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24609619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).