N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

C20H25N3O4S — CID 43920263

IUPACN-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C20H25N3O4S/c1-27-19-9-4-3-8-18(19)21-20(24)17-7-5-6-16(14-17)15-22-10-12-23(13-11-22)28(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyVAIVIVGDPJFZLA-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.02
Rot. Bonds6

About N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (PubChem CID 43920263) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
PubChem CID43920263
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C20H25N3O4S/c1-27-19-9-4-3-8-18(19)21-20(24)17-7-5-6-16(14-17)15-22-10-12-23(13-11-22)28(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyVAIVIVGDPJFZLA-UHFFFAOYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43923825
N-(4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919706
N-(5-chloro-2-methoxyphenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921508
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenoxyphenyl)benzamide
CID 38099477
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 43925690
N-(2-methoxyphenyl)-3-[[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 66879689
N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922522
N-(2,4-dimethylpentan-3-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921351
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 38019961
N-[(2-chlorophenyl)methyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43924169
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925181
N-(1,3-benzodioxol-5-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921468

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (CID 43920263) is N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is COc1ccccc1NC(=O)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The InChIKey is VAIVIVGDPJFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-19-9-4-3-8-18(19)21-20(24)17-7-5-6-16(14-17)15-22-10-12-23(13-11-22)28(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 43920263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).