N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide

C21H27N3O4S — CID 55347694

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(OC)cc2)N(C)C)c1
InChIInChI=1S/C21H27N3O4S/c1-5-13-23-29(26,27)19-8-6-7-17(14-19)21(25)22-15-20(24(2)3)16-9-11-18(28-4)12-10-16/h5-12,14,20,23H,1,13,15H2,2-4H3,(H,22,25)
InChIKeyASYUCAUPHYBQME-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.19
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55347694) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55347694
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(OC)cc2)N(C)C)c1
InChIInChI=1S/C21H27N3O4S/c1-5-13-23-29(26,27)19-8-6-7-17(14-19)21(25)22-15-20(24(2)3)16-9-11-18(28-4)12-10-16/h5-12,14,20,23H,1,13,15H2,2-4H3,(H,22,25)
InChIKeyASYUCAUPHYBQME-UHFFFAOYSA-N
XLogP2.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 43006606
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43017144
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24673398
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 25494570
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 25335599
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55337196
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 30474759
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 55347694) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(OC)cc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is ASYUCAUPHYBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-5-13-23-29(26,27)19-8-6-7-17(14-19)21(25)22-15-20(24(2)3)16-9-11-18(28-4)12-10-16/h5-12,14,20,23H,1,13,15H2,2-4H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55347694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).