N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide

C23H29N3O4S — CID 45374149

IUPACN-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c27-23(26-16-14-25(15-17-26)20-8-2-1-3-9-20)18-30-21-10-12-22(13-11-21)31(28,29)24-19-6-4-5-7-19/h1-3,8-13,19,24H,4-7,14-18H2
InChIKeyORTYTENELRFSEB-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.64
Rot. Bonds7

About N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide

N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 45374149) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
PubChem CID45374149
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c27-23(26-16-14-25(15-17-26)20-8-2-1-3-9-20)18-30-21-10-12-22(13-11-21)31(28,29)24-19-6-4-5-7-19/h1-3,8-13,19,24H,4-7,14-18H2
InChIKeyORTYTENELRFSEB-UHFFFAOYSA-N
XLogP2.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 1084693
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
1-[2-[4-(cyclopentylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 6491970
N-(3,5-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 4010850
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 41140882
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 2942380
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 126149902
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide (CID 45374149) is N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide is O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is ORTYTENELRFSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(26-16-14-25(15-17-26)20-8-2-1-3-9-20)18-30-21-10-12-22(13-11-21)31(28,29)24-19-6-4-5-7-19/h1-3,8-13,19,24H,4-7,14-18H2.
What are the key properties of N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide?
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 45374149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).