N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide

C22H27ClN2O4S — CID 55956173

IUPACN-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-25(14-3-15-29-20-5-2-4-18(23)16-20)22(26)13-8-17-6-11-21(12-7-17)30(27,28)24-19-9-10-19/h2,4-7,11-12,16,19,24H,3,8-10,13-15H2,1H3
InChIKeyATTJHURFINFYBB-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.64
Rot. Bonds11

About N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide

N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide (PubChem CID 55956173) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
PubChem CID55956173
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-25(14-3-15-29-20-5-2-4-18(23)16-20)22(26)13-8-17-6-11-21(12-7-17)30(27,28)24-19-9-10-19/h2,4-7,11-12,16,19,24H,3,8-10,13-15H2,1H3
InChIKeyATTJHURFINFYBB-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
CID 110355911
N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 55897046
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate
CID 55475628
N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide
CID 112803756
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26994681
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119739734
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide (CID 55956173) is N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide is CN(CCCOc1cccc(Cl)c1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide?
The InChIKey is ATTJHURFINFYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-25(14-3-15-29-20-5-2-4-18(23)16-20)22(26)13-8-17-6-11-21(12-7-17)30(27,28)24-19-9-10-19/h2,4-7,11-12,16,19,24H,3,8-10,13-15H2,1H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide?
N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide has a molecular weight of 450.99 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide is sourced from PubChem (CID 55956173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).