N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide

C21H29N3O4S — CID 56538689

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H29N3O4S/c1-4-24(5-2)20(17-7-6-8-18(14-17)28-3)15-23-21(25)13-16-9-11-19(12-10-16)29(22,26)27/h6-12,14,20H,4-5,13,15H2,1-3H3,(H,23,25)(H2,22,26,27)
InChIKeyDWBTYCGJBRZDJS-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.08
Rot. Bonds10

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56538689) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56538689
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H29N3O4S/c1-4-24(5-2)20(17-7-6-8-18(14-17)28-3)15-23-21(25)13-16-9-11-19(12-10-16)29(22,26)27/h6-12,14,20H,4-5,13,15H2,1-3H3,(H,23,25)(H2,22,26,27)
InChIKeyDWBTYCGJBRZDJS-UHFFFAOYSA-N
XLogP2.08
TPSA101.73 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 24646521
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55470741
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56547079
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55527106
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 43045627
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 55700187
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134032752

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide (CID 56538689) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide is CCN(CC)C(CNC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is DWBTYCGJBRZDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-4-24(5-2)20(17-7-6-8-18(14-17)28-3)15-23-21(25)13-16-9-11-19(12-10-16)29(22,26)27/h6-12,14,20H,4-5,13,15H2,1-3H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56538689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).