4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide

C23H30N4O4S — CID 100523110

IUPAC4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)CC1
InChIInChI=1S/C23H30N4O4S/c1-25-10-12-27(13-11-25)32(29,30)18-19-2-4-20(5-3-19)23(28)24-21-6-8-22(9-7-21)26-14-16-31-17-15-26/h2-9H,10-18H2,1H3,(H,24,28)
InChIKeyPXCYZFRVXIXEPD-UHFFFAOYSA-N
MW458.58 g/mol
LogP1.85
Rot. Bonds6

About 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide

4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 100523110) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID100523110
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)CC1
InChIInChI=1S/C23H30N4O4S/c1-25-10-12-27(13-11-25)32(29,30)18-19-2-4-20(5-3-19)23(28)24-21-6-8-22(9-7-21)26-14-16-31-17-15-26/h2-9H,10-18H2,1H3,(H,24,28)
InChIKeyPXCYZFRVXIXEPD-UHFFFAOYSA-N
XLogP1.85
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 51.85
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

methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 99969536
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 46763499
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide (CID 100523110) is 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide is CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is PXCYZFRVXIXEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-25-10-12-27(13-11-25)32(29,30)18-19-2-4-20(5-3-19)23(28)24-21-6-8-22(9-7-21)26-14-16-31-17-15-26/h2-9H,10-18H2,1H3,(H,24,28).
What are the key properties of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 458.58 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 100523110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).