N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide

C22H30N4O3S — CID 26711987

IUPACN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1
InChIInChI=1S/C22H30N4O3S/c1-4-10-23-30(28,29)20-7-5-6-18(16-20)22(27)24-21-9-8-19(15-17(21)2)26-13-11-25(3)12-14-26/h5-9,15-16,23H,4,10-14H2,1-3H3,(H,24,27)
InChIKeyDEWKZEMXYJSELE-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.69
Rot. Bonds7

About N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide (PubChem CID 26711987) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
PubChem CID26711987
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1
InChIInChI=1S/C22H30N4O3S/c1-4-10-23-30(28,29)20-7-5-6-18(16-20)22(27)24-21-9-8-19(15-17(21)2)26-13-11-25(3)12-14-26/h5-9,15-16,23H,4,10-14H2,1-3H3,(H,24,27)
InChIKeyDEWKZEMXYJSELE-UHFFFAOYSA-N
XLogP2.69
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 4789120
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 36565346
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18127986
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
3-(propylsulfamoyl)benzoic acid
CID 2442822

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide (CID 26711987) is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1.
What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide?
The InChIKey is DEWKZEMXYJSELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-4-10-23-30(28,29)20-7-5-6-18(16-20)22(27)24-21-9-8-19(15-17(21)2)26-13-11-25(3)12-14-26/h5-9,15-16,23H,4,10-14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide?
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 26711987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).