2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C24H26N4O5S — CID 4843575

IUPAC2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O5S/c29-23(27-12-14-28(15-13-27)34(31,32)20-8-2-1-3-9-20)18-25-22-11-5-4-10-21(22)24(30)26-17-19-7-6-16-33-19/h1-11,16,25H,12-15,17-18H2,(H,26,30)
InChIKeySPNILBPCIUVMHQ-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.15
Rot. Bonds8

About 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 4843575) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID4843575
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O5S/c29-23(27-12-14-28(15-13-27)34(31,32)20-8-2-1-3-9-20)18-25-22-11-5-4-10-21(22)24(30)26-17-19-7-6-16-33-19/h1-11,16,25H,12-15,17-18H2,(H,26,30)
InChIKeySPNILBPCIUVMHQ-UHFFFAOYSA-N
XLogP2.15
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
(3S)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073677
N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783208
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-fluoroanilino)ethanone
CID 51490486
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,5-difluoroanilino)ethanone
CID 51252716
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 4798851
2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387560
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119678772

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 4843575) is 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SPNILBPCIUVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c29-23(27-12-14-28(15-13-27)34(31,32)20-8-2-1-3-9-20)18-25-22-11-5-4-10-21(22)24(30)26-17-19-7-6-16-33-19/h1-11,16,25H,12-15,17-18H2,(H,26,30).
What are the key properties of 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 482.56 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 4843575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).