N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide

C25H25N3O6S — CID 51858051

IUPACN-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O6S/c1-18-9-11-19(12-10-18)22(29)26-23(35(32,33)20-6-3-2-4-7-20)25(31)28-15-13-27(14-16-28)24(30)21-8-5-17-34-21/h2-12,17,23H,13-16H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyRQLZLWFXAPLOQX-QHCPKHFHSA-N
MW495.56 g/mol
LogP2.10
Rot. Bonds6

About N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide

N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 51858051) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
PubChem CID51858051
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC NameN-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O6S/c1-18-9-11-19(12-10-18)22(29)26-23(35(32,33)20-6-3-2-4-7-20)25(31)28-15-13-27(14-16-28)24(30)21-8-5-17-34-21/h2-12,17,23H,13-16H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyRQLZLWFXAPLOQX-QHCPKHFHSA-N
XLogP2.10
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 51858044
N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide
CID 51858041
N-[(1R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173533
N-[(1R)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 42558371
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558379
N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558382
N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 41201756
N-[(1S)-1-(benzenesulfonyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 51857974
N-[(1R)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-4-chlorobenzamide
CID 41201724
N-[(1R)-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173561
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide (CID 51858051) is N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is RQLZLWFXAPLOQX-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-18-9-11-19(12-10-18)22(29)26-23(35(32,33)20-6-3-2-4-7-20)25(31)28-15-13-27(14-16-28)24(30)21-8-5-17-34-21/h2-12,17,23H,13-16H2,1H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide?
N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 495.56 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 51858051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).