N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C22H31N3O4S — CID 55337196

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)N(C)C)c1
InChIInChI=1S/C22H31N3O4S/c1-16(2)25(5)30(27,28)20-12-8-10-18(14-20)22(26)23-15-21(24(3)4)17-9-7-11-19(13-17)29-6/h7-14,16,21H,15H2,1-6H3,(H,23,26)
InChIKeyGBRHWLSWNUJGQH-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.76
Rot. Bonds9

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55337196) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55337196
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)N(C)C)c1
InChIInChI=1S/C22H31N3O4S/c1-16(2)25(5)30(27,28)20-12-8-10-18(14-20)22(26)23-15-21(24(3)4)17-9-7-11-19(13-17)29-6/h7-14,16,21H,15H2,1-6H3,(H,23,26)
InChIKeyGBRHWLSWNUJGQH-UHFFFAOYSA-N
XLogP2.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-nitrobenzamide
CID 45001537
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 43017221
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55347694
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55337196) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is COc1cccc(C(CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is GBRHWLSWNUJGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-16(2)25(5)30(27,28)20-12-8-10-18(14-20)22(26)23-15-21(24(3)4)17-9-7-11-19(13-17)29-6/h7-14,16,21H,15H2,1-6H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 433.57 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55337196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).