N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C21H29N3O4S — CID 43017141

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccc(OC)cc2)N(C)C)cc1
InChIInChI=1S/C21H29N3O4S/c1-22-29(26,27)19-12-5-16(6-13-19)7-14-21(25)23-15-20(24(2)3)17-8-10-18(28-4)11-9-17/h5-6,8-13,20,22H,7,14-15H2,1-4H3,(H,23,25)
InChIKeyXTGGHBVIYWAAPA-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.96
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 43017141) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID43017141
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccc(OC)cc2)N(C)C)cc1
InChIInChI=1S/C21H29N3O4S/c1-22-29(26,27)19-12-5-16(6-13-19)7-14-21(25)23-15-20(24(2)3)17-8-10-18(28-4)11-9-17/h5-6,8-13,20,22H,7,14-15H2,1-4H3,(H,23,25)
InChIKeyXTGGHBVIYWAAPA-UHFFFAOYSA-N
XLogP1.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42987404
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 42990397
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 43035568
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 43017141) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccc(OC)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is XTGGHBVIYWAAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-22-29(26,27)19-12-5-16(6-13-19)7-14-21(25)23-15-20(24(2)3)17-8-10-18(28-4)11-9-17/h5-6,8-13,20,22H,7,14-15H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 419.55 g/mol, XLogP of 1.96, 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-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43017141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).