5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide

C22H30N4O5S — CID 46379661

IUPAC5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C22H30N4O5S/c1-3-31-18-5-7-19(8-6-18)32(28,29)25-17-4-9-21(26-13-10-23-11-14-26)20(16-17)22(27)24-12-15-30-2/h4-9,16,23,25H,3,10-15H2,1-2H3,(H,24,27)
InChIKeyWVQSYAFMHCPOAS-UHFFFAOYSA-N
MW462.57 g/mol
LogP1.67
Rot. Bonds10

About 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide

5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide (PubChem CID 46379661) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
PubChem CID46379661
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C22H30N4O5S/c1-3-31-18-5-7-19(8-6-18)32(28,29)25-17-4-9-21(26-13-10-23-11-14-26)20(16-17)22(27)24-12-15-30-2/h4-9,16,23,25H,3,10-15H2,1-2H3,(H,24,27)
InChIKeyWVQSYAFMHCPOAS-UHFFFAOYSA-N
XLogP1.67
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062449
5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
CID 46379559
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108262
5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146062562
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
CID 20972171
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883
N-[(2S)-butan-2-yl]-5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92880534
5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
CID 50822911
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylbenzamide
CID 46379635
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50766217
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 46291694

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide?
The IUPAC name of 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide (CID 46379661) is 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide?
The canonical SMILES for 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)NCCOC)c2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide?
The InChIKey is WVQSYAFMHCPOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-3-31-18-5-7-19(8-6-18)32(28,29)25-17-4-9-21(26-13-10-23-11-14-26)20(16-17)22(27)24-12-15-30-2/h4-9,16,23,25H,3,10-15H2,1-2H3,(H,24,27).
What are the key properties of 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide?
5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 1.67, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 46379661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).