N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide

C23H29N3O3S — CID 28624319

IUPACN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-30(28,29)26-17-15-25(16-18-26)21-11-9-20(10-12-21)24-22(27)23(13-5-6-14-23)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-18H2,1H3,(H,24,27)
InChIKeyPEZGPDOCZDLREX-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.22
Rot. Bonds5

About N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 28624319) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID28624319
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-30(28,29)26-17-15-25(16-18-26)21-11-9-20(10-12-21)24-22(27)23(13-5-6-14-23)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-18H2,1H3,(H,24,27)
InChIKeyPEZGPDOCZDLREX-UHFFFAOYSA-N
XLogP3.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55537878
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide
CID 55668918
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenoxypropanamide
CID 30309424
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862
2-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3656658
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide (CID 28624319) is N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide is CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is PEZGPDOCZDLREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-30(28,29)26-17-15-25(16-18-26)21-11-9-20(10-12-21)24-22(27)23(13-5-6-14-23)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-18H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 28624319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).