3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

C19H23N3O4S — CID 1087165

IUPAC3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-26-18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)21-10-12-22(13-11-21)27(2,24)25/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyCUGYVHPHDMBZCH-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.03
Rot. Bonds5

About 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1087165) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
PubChem CID1087165
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-26-18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)21-10-12-22(13-11-21)27(2,24)25/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyCUGYVHPHDMBZCH-UHFFFAOYSA-N
XLogP2.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
N-[2-[4-(4-cyanophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
CID 49788868
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 13318464
3-methoxy-N-phenylbenzamide
CID 835330
3-methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 10406796
N-{4-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10430816
N-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 10948748
N-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 11036114
N-benzoyl-4-(4-methoxyphenyl)-1-piperazinecarboxamide
CID 701195

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (CID 1087165) is 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is CUGYVHPHDMBZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)21-10-12-22(13-11-21)27(2,24)25/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1087165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).