5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

C22H29N3O7S — CID 55691700

IUPAC5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESCOc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C22H29N3O7S/c1-15(2)8-13-31-17-5-4-16(14-19(17)30-3)22(27)24-9-11-25(12-10-24)33(28,29)20-7-6-18(32-20)21(23)26/h4-7,14-15H,8-13H2,1-3H3,(H2,23,26)
InChIKeyQYYQDYXDMBLZGH-UHFFFAOYSA-N
MW479.56 g/mol
LogP1.96
Rot. Bonds9

About 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 55691700) has the molecular formula C22H29N3O7S and a molecular weight of 479.56 g/mol. Its IUPAC name is 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID55691700
Molecular FormulaC22H29N3O7S
Molecular Weight479.56 g/mol
Exact Mass479.17
IUPAC Name5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESCOc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C22H29N3O7S/c1-15(2)8-13-31-17-5-4-16(14-19(17)30-3)22(27)24-9-11-25(12-10-24)33(28,29)20-7-6-18(32-20)21(23)26/h4-7,14-15H,8-13H2,1-3H3,(H2,23,26)
InChIKeyQYYQDYXDMBLZGH-UHFFFAOYSA-N
XLogP1.96
TPSA132.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 31824614
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306324
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
azepan-1-yl-[3-bromo-4-(3-methylbutoxy)phenyl]methanone
CID 54793485
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 55691700) is 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1OCCC(C)C.
What is the InChIKey of 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is QYYQDYXDMBLZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O7S/c1-15(2)8-13-31-17-5-4-16(14-19(17)30-3)22(27)24-9-11-25(12-10-24)33(28,29)20-7-6-18(32-20)21(23)26/h4-7,14-15H,8-13H2,1-3H3,(H2,23,26).
What are the key properties of 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 55691700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).