N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C22H29N3O3S — CID 2900397

IUPACN-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(C)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-18(8-9-20-6-4-3-5-7-20)24-14-16-25(17-15-24)29(27,28)22-12-10-21(11-13-22)23-19(2)26/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,23,26)
InChIKeyDQEDIZYMZAAKKR-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.97
Rot. Bonds7

About N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2900397) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2900397
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(C)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-18(8-9-20-6-4-3-5-7-20)24-14-16-25(17-15-24)29(27,28)22-12-10-21(11-13-22)23-19(2)26/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,23,26)
InChIKeyDQEDIZYMZAAKKR-UHFFFAOYSA-N
XLogP2.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide 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

Thaumatin
CID 1151816
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
4,8-dimethyl-6-(piperidin-1-ylsulfonyl)quinolin-2(1H)-one
CID 6324404
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 2900397) is N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(C)CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is DQEDIZYMZAAKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18(8-9-20-6-4-3-5-7-20)24-14-16-25(17-15-24)29(27,28)22-12-10-21(11-13-22)23-19(2)26/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2900397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).