N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H20N2O4S2 — CID 2329267

IUPACN-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H20N2O4S2/c1-13(21)15-4-2-5-16(12-15)19-18(22)14-7-9-20(10-8-14)26(23,24)17-6-3-11-25-17/h2-6,11-12,14H,7-10H2,1H3,(H,19,22)
InChIKeyIGTJMMDAFLQIPX-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.99
Rot. Bonds5

About N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2329267) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2329267
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H20N2O4S2/c1-13(21)15-4-2-5-16(12-15)19-18(22)14-7-9-20(10-8-14)26(23,24)17-6-3-11-25-17/h2-6,11-12,14H,7-10H2,1H3,(H,19,22)
InChIKeyIGTJMMDAFLQIPX-UHFFFAOYSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
3-Cyclohexyl-N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}propanamide
CID 71661885
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
4-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2329267) is N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is IGTJMMDAFLQIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-13(21)15-4-2-5-16(12-15)19-18(22)14-7-9-20(10-8-14)26(23,24)17-6-3-11-25-17/h2-6,11-12,14H,7-10H2,1H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2329267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).