N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide

C27H32N4O3S — CID 36565346

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)c(C)c2)CC1
InChIInChI=1S/C27H32N4O3S/c1-4-30-15-17-31(18-16-30)24-13-14-26(21(2)19-24)28-27(32)22-9-8-12-25(20-22)35(33,34)29(3)23-10-6-5-7-11-23/h5-14,19-20H,4,15-18H2,1-3H3,(H,28,32)
InChIKeyTYSFSJKFGMDQEF-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.21
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 36565346) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID36565346
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)c(C)c2)CC1
InChIInChI=1S/C27H32N4O3S/c1-4-30-15-17-31(18-16-30)24-13-14-26(21(2)19-24)28-27(32)22-9-8-12-25(20-22)35(33,34)29(3)23-10-6-5-7-11-23/h5-14,19-20H,4,15-18H2,1-3H3,(H,28,32)
InChIKeyTYSFSJKFGMDQEF-UHFFFAOYSA-N
XLogP4.21
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
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

4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
4-(difluoromethylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 34193952
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
CID 26711987
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
CID 55731125
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 36565346) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide is CCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is TYSFSJKFGMDQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-4-30-15-17-31(18-16-30)24-13-14-26(21(2)19-24)28-27(32)22-9-8-12-25(20-22)35(33,34)29(3)23-10-6-5-7-11-23/h5-14,19-20H,4,15-18H2,1-3H3,(H,28,32).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 492.65 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 36565346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).