N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide

C21H29N3O5S — CID 46349169

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)C)c(S(=O)(=O)N(C)C)c2)c(OC)c1
InChIInChI=1S/C21H29N3O5S/c1-23(2)18-10-8-16(13-20(18)30(26,27)24(3)4)21(25)22-12-11-15-7-9-17(28-5)14-19(15)29-6/h7-10,13-14H,11-12H2,1-6H3,(H,22,25)
InChIKeyIKPOQTKHRCCPLK-UHFFFAOYSA-N
MW435.55 g/mol
LogP1.99
Rot. Bonds9

About N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide (PubChem CID 46349169) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide
PubChem CID46349169
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)C)c(S(=O)(=O)N(C)C)c2)c(OC)c1
InChIInChI=1S/C21H29N3O5S/c1-23(2)18-10-8-16(13-20(18)30(26,27)24(3)4)21(25)22-12-11-15-7-9-17(28-5)14-19(15)29-6/h7-10,13-14H,11-12H2,1-6H3,(H,22,25)
InChIKeyIKPOQTKHRCCPLK-UHFFFAOYSA-N
XLogP1.99
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 110408855
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110615920
3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 46443053
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 46349145
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide (CID 46349169) is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide is COc1ccc(CCNC(=O)c2ccc(N(C)C)c(S(=O)(=O)N(C)C)c2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is IKPOQTKHRCCPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-23(2)18-10-8-16(13-20(18)30(26,27)24(3)4)21(25)22-12-11-15-7-9-17(28-5)14-19(15)29-6/h7-10,13-14H,11-12H2,1-6H3,(H,22,25).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 46349169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).