4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

C21H27N3O5S — CID 984193

IUPAC4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-21(2,3)16-6-8-17(9-7-16)30(27,28)22-15-19(25)23-10-12-24(13-11-23)20(26)18-5-4-14-29-18/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyYCWFUPLFIIMIQN-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.84
Rot. Bonds5

About 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 984193) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID984193
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-21(2,3)16-6-8-17(9-7-16)30(27,28)22-15-19(25)23-10-12-24(13-11-23)20(26)18-5-4-14-29-18/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyYCWFUPLFIIMIQN-UHFFFAOYSA-N
XLogP1.84
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 984193) is 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is YCWFUPLFIIMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-21(2,3)16-6-8-17(9-7-16)30(27,28)22-15-19(25)23-10-12-24(13-11-23)20(26)18-5-4-14-29-18/h4-9,14,22H,10-13,15H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 984193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).