N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide

C24H22ClN3O6S — CID 51858041

IUPACN-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(N[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O6S/c25-18-10-8-17(9-11-18)21(29)26-22(35(32,33)19-5-2-1-3-6-19)24(31)28-14-12-27(13-15-28)23(30)20-7-4-16-34-20/h1-11,16,22H,12-15H2,(H,26,29)/t22-/m1/s1
InChIKeyQBVQNQUMZMLETH-JOCHJYFZSA-N
MW515.98 g/mol
LogP2.45
Rot. Bonds6

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

N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide (PubChem CID 51858041) has the molecular formula C24H22ClN3O6S and a molecular weight of 515.98 g/mol. Its IUPAC name is N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide
PubChem CID51858041
Molecular FormulaC24H22ClN3O6S
Molecular Weight515.98 g/mol
Exact Mass515.09
IUPAC NameN-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(N[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O6S/c25-18-10-8-17(9-11-18)21(29)26-22(35(32,33)19-5-2-1-3-6-19)24(31)28-14-12-27(13-15-28)23(30)20-7-4-16-34-20/h1-11,16,22H,12-15H2,(H,26,29)/t22-/m1/s1
InChIKeyQBVQNQUMZMLETH-JOCHJYFZSA-N
XLogP2.45
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.98
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 51858051
N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 51858044
N-[(1R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173533
N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 98173504
N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558382
N-[(1S)-1-(4-chlorophenyl)sulfonyl-2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 98173237
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558379
N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 41201756
N-[(1R)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-4-chlorobenzamide
CID 41201724
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-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 98173362
N-[2-(azepan-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxoethyl]-4-bromobenzamide
CID 19256413

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide (CID 51858041) is N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide is O=C(N[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is QBVQNQUMZMLETH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22ClN3O6S/c25-18-10-8-17(9-11-18)21(29)26-22(35(32,33)19-5-2-1-3-6-19)24(31)28-14-12-27(13-15-28)23(30)20-7-4-16-34-20/h1-11,16,22H,12-15H2,(H,26,29)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide?
N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 515.98 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 51858041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).