N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C22H30N4O4S — CID 24614405

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1C
InChIInChI=1S/C22H30N4O4S/c1-5-26-15(2)14-21(16(26)3)22(28)24-19-10-12-25(13-11-19)31(29,30)20-8-6-18(7-9-20)23-17(4)27/h6-9,14,19H,5,10-13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyQBIULUNOIAICBZ-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.67
Rot. Bonds6

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 24614405) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID24614405
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1C
InChIInChI=1S/C22H30N4O4S/c1-5-26-15(2)14-21(16(26)3)22(28)24-19-10-12-25(13-11-19)31(29,30)20-8-6-18(7-9-20)23-17(4)27/h6-9,14,19H,5,10-13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyQBIULUNOIAICBZ-UHFFFAOYSA-N
XLogP2.67
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 24611592
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
CID 24614368
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 24611640
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 41368529
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 154858329
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561718

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 24614405) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1C.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is QBIULUNOIAICBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-5-26-15(2)14-21(16(26)3)22(28)24-19-10-12-25(13-11-19)31(29,30)20-8-6-18(7-9-20)23-17(4)27/h6-9,14,19H,5,10-13H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 24614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).