N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide

C20H25N3O4S — CID 55365640

IUPACN-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3C)CC2)c1
InChIInChI=1S/C20H25N3O4S/c1-15-7-8-17(21-16(2)24)13-20(15)28(25,26)23-11-9-22(10-12-23)18-5-4-6-19(14-18)27-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)
InChIKeyLCBWQTRLYHNDCC-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.47
Rot. Bonds5

About N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide

N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide (PubChem CID 55365640) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
PubChem CID55365640
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3C)CC2)c1
InChIInChI=1S/C20H25N3O4S/c1-15-7-8-17(21-16(2)24)13-20(15)28(25,26)23-11-9-22(10-12-23)18-5-4-6-19(14-18)27-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)
InChIKeyLCBWQTRLYHNDCC-UHFFFAOYSA-N
XLogP2.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]urea
CID 100746610
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
methyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 53069031
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084
N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 39795157
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide (CID 55365640) is N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide is COc1cccc(N2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3C)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The InChIKey is LCBWQTRLYHNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-7-8-17(21-16(2)24)13-20(15)28(25,26)23-11-9-22(10-12-23)18-5-4-6-19(14-18)27-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,24).
What are the key properties of N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide?
N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide is sourced from PubChem (CID 55365640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).