N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide

C22H26ClN3O3S — CID 19099498

IUPACN-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-30(29)16-21(27)24-20-8-4-18(5-9-20)22(28)26-14-12-25(13-15-26)11-10-17-2-6-19(23)7-3-17/h2-9H,10-16H2,1H3,(H,24,27)
InChIKeyWRLUSUCNZKSWJK-UHFFFAOYSA-N
MW447.99 g/mol
LogP2.66
Rot. Bonds7

About N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide

N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide (PubChem CID 19099498) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
PubChem CID19099498
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC NameN-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-30(29)16-21(27)24-20-8-4-18(5-9-20)22(28)26-14-12-25(13-15-26)11-10-17-2-6-19(23)7-3-17/h2-9H,10-16H2,1H3,(H,24,27)
InChIKeyWRLUSUCNZKSWJK-UHFFFAOYSA-N
XLogP2.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide 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-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 67912324
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
CID 134011762
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide?
The IUPAC name of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide (CID 19099498) is N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide.
What is the SMILES notation for N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide?
The canonical SMILES for N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide is CS(=O)CC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide?
The InChIKey is WRLUSUCNZKSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-30(29)16-21(27)24-20-8-4-18(5-9-20)22(28)26-14-12-25(13-15-26)11-10-17-2-6-19(23)7-3-17/h2-9H,10-16H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide?
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide has a molecular weight of 447.99 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide is sourced from PubChem (CID 19099498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).