2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C26H30N4O4S — CID 53279102

IUPAC2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N4O4S/c1-28-16-18-29(19-17-28)22-10-8-21(9-11-22)27-26(31)20-30(23-6-4-3-5-7-23)35(32,33)25-14-12-24(34-2)13-15-25/h3-15H,16-20H2,1-2H3,(H,27,31)
InChIKeyJJZIYRYKRAQXBV-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.28
Rot. Bonds8

About 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 53279102) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID53279102
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N4O4S/c1-28-16-18-29(19-17-28)22-10-8-21(9-11-22)27-26(31)20-30(23-6-4-3-5-7-23)35(32,33)25-14-12-24(34-2)13-15-25/h3-15H,16-20H2,1-2H3,(H,27,31)
InChIKeyJJZIYRYKRAQXBV-UHFFFAOYSA-N
XLogP3.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502060
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502499
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519754
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280050
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279448
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279235
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 2874961

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 53279102) is 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is JJZIYRYKRAQXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-28-16-18-29(19-17-28)22-10-8-21(9-11-22)27-26(31)20-30(23-6-4-3-5-7-23)35(32,33)25-14-12-24(34-2)13-15-25/h3-15H,16-20H2,1-2H3,(H,27,31).
What are the key properties of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 494.62 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 53279102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).