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

C22H26ClN3O4S2 — CID 46151974

IUPACN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C22H26ClN3O4S2/c23-17-5-7-18(8-6-17)32(29,30)26-13-9-16(10-14-26)20(22(28)25-11-1-2-12-25)24-21(27)19-4-3-15-31-19/h3-8,15-16,20H,1-2,9-14H2,(H,24,27)
InChIKeyNXZWNWMDQLQIDX-UHFFFAOYSA-N
MW496.05 g/mol
LogP3.22
Rot. Bonds6

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

N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 46151974) has the molecular formula C22H26ClN3O4S2 and a molecular weight of 496.05 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID46151974
Molecular FormulaC22H26ClN3O4S2
Molecular Weight496.05 g/mol
Exact Mass495.11
IUPAC NameN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C22H26ClN3O4S2/c23-17-5-7-18(8-6-17)32(29,30)26-13-9-16(10-14-26)20(22(28)25-11-1-2-12-25)24-21(27)19-4-3-15-31-19/h3-8,15-16,20H,1-2,9-14H2,(H,24,27)
InChIKeyNXZWNWMDQLQIDX-UHFFFAOYSA-N
XLogP3.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.05
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93200555
N-[1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 42682688
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 42840278
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196790
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196772
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol
CID 131903485
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-fluorobenzamide
CID 93183349
N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 51857965
3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93200709
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93200713
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 19324347
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 46151974) is N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is O=C(NC(C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is NXZWNWMDQLQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S2/c23-17-5-7-18(8-6-17)32(29,30)26-13-9-16(10-14-26)20(22(28)25-11-1-2-12-25)24-21(27)19-4-3-15-31-19/h3-8,15-16,20H,1-2,9-14H2,(H,24,27).
What are the key properties of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 496.05 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46151974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).