N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide

C23H29N3O3S — CID 31661125

IUPACN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O3S/c1-3-14-24-30(28,29)22-9-7-8-20(17-22)23(27)25(2)18-19-10-12-21(13-11-19)26-15-5-4-6-16-26/h3,7-13,17,24H,1,4-6,14-16,18H2,2H3
InChIKeyUINXABWVKGHOHD-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.41
Rot. Bonds8

About N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 31661125) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID31661125
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O3S/c1-3-14-24-30(28,29)22-9-7-8-20(17-22)23(27)25(2)18-19-10-12-21(13-11-19)26-15-5-4-6-16-26/h3,7-13,17,24H,1,4-6,14-16,18H2,2H3
InChIKeyUINXABWVKGHOHD-UHFFFAOYSA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 31542031
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 8966476
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24545003
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551926
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24516663
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551386
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55416151
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 31661125) is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is UINXABWVKGHOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-3-14-24-30(28,29)22-9-7-8-20(17-22)23(27)25(2)18-19-10-12-21(13-11-19)26-15-5-4-6-16-26/h3,7-13,17,24H,1,4-6,14-16,18H2,2H3.
What are the key properties of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 427.57 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 31661125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).