N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide

C20H23N3O4S — CID 8900561

IUPACN-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O4S/c1-16(24)21-19-9-5-8-18(14-19)20(25)22-10-12-23(13-11-22)28(26,27)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,21,24)
InChIKeyAPCPOXSWBFKEEB-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.93
Rot. Bonds5

About N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide

N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 8900561) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID8900561
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O4S/c1-16(24)21-19-9-5-8-18(14-19)20(25)22-10-12-23(13-11-22)28(26,27)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,21,24)
InChIKeyAPCPOXSWBFKEEB-UHFFFAOYSA-N
XLogP1.93
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
CID 11606910
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
macrocyclic BACE inhibitor, 12
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N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118021879
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 723431
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2810635
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
(2S)-2-{[(2S)-2-({3-[(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl]-5-(N-methylmethanesulfonamido)phenyl}formamido)-3-phenylpropyl]amino}-N-(2-methylpropyl)propanamide
CID 11342097
N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide
CID 843001
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 892408

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide (CID 8900561) is N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is APCPOXSWBFKEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-16(24)21-19-9-5-8-18(14-19)20(25)22-10-12-23(13-11-22)28(26,27)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,21,24).
What are the key properties of N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide?
N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 8900561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).