N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide

C20H25N3O4S2 — CID 100710035

IUPACN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C20H25N3O4S2/c1-15(24)21-19-14-18(8-9-20(19)28-3)29(25,26)23-12-10-22(11-13-23)16-4-6-17(27-2)7-5-16/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyYZYMCDNHXQWKGW-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.89
Rot. Bonds6

About N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide

N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide (PubChem CID 100710035) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide
PubChem CID100710035
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC NameN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C20H25N3O4S2/c1-15(24)21-19-14-18(8-9-20(19)28-3)29(25,26)23-12-10-22(11-13-23)16-4-6-17(27-2)7-5-16/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyYZYMCDNHXQWKGW-UHFFFAOYSA-N
XLogP2.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100651378
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
N-(2,4-dichlorophenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 6616787
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 3585654
N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide
CID 133161258
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide (CID 100710035) is N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide is COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)CC2)cc1.
What is the InChIKey of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide?
The InChIKey is YZYMCDNHXQWKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-15(24)21-19-14-18(8-9-20(19)28-3)29(25,26)23-12-10-22(11-13-23)16-4-6-17(27-2)7-5-16/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide?
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide has a molecular weight of 435.57 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100710035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).