N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

C23H29N3O5S2 — CID 42682688

IUPACN-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(NC(=O)c3cccs3)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H29N3O5S2/c1-31-18-6-8-19(9-7-18)33(29,30)26-14-10-17(11-15-26)21(23(28)25-12-2-3-13-25)24-22(27)20-5-4-16-32-20/h4-9,16-17,21H,2-3,10-15H2,1H3,(H,24,27)
InChIKeySABVEPSHIBYLOD-UHFFFAOYSA-N
MW491.64 g/mol
LogP2.58
Rot. Bonds7

About N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 42682688) has the molecular formula C23H29N3O5S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID42682688
Molecular FormulaC23H29N3O5S2
Molecular Weight491.64 g/mol
Exact Mass491.15
IUPAC NameN-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(NC(=O)c3cccs3)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H29N3O5S2/c1-31-18-6-8-19(9-7-18)33(29,30)26-14-10-17(11-15-26)21(23(28)25-12-2-3-13-25)24-22(27)20-5-4-16-32-20/h4-9,16-17,21H,2-3,10-15H2,1H3,(H,24,27)
InChIKeySABVEPSHIBYLOD-UHFFFAOYSA-N
XLogP2.58
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 46151974
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93200555
N-[2-(butan-2-ylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 46020818
3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93200709
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55661869
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 42840278
N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93199190
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196772
N-[(1R)-1-(benzenesulfonyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173345
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196790
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014688

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 42682688) is N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(NC(=O)c3cccs3)C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is SABVEPSHIBYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S2/c1-31-18-6-8-19(9-7-18)33(29,30)26-14-10-17(11-15-26)21(23(28)25-12-2-3-13-25)24-22(27)20-5-4-16-32-20/h4-9,16-17,21H,2-3,10-15H2,1H3,(H,24,27).
What are the key properties of N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42682688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).