4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide

C18H20ClN3O5S — CID 177371106

IUPAC4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-12(27-16-10-6-14(19)7-11-16)17(23)20-15-8-4-13(5-9-15)18(24)21-28(25,26)22(2)3/h4-12H,1-3H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyALBDIHUGWVIKPO-GFCCVEGCSA-N
MW425.89 g/mol
LogP2.28
Rot. Bonds7

About 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide

4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide (PubChem CID 177371106) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide
PubChem CID177371106
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-12(27-16-10-6-14(19)7-11-16)17(23)20-15-8-4-13(5-9-15)18(24)21-28(25,26)22(2)3/h4-12H,1-3H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyALBDIHUGWVIKPO-GFCCVEGCSA-N
XLogP2.28
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
CID 177371105
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196176
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide
CID 163362745

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide (CID 177371106) is 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide?
The InChIKey is ALBDIHUGWVIKPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-12(27-16-10-6-14(19)7-11-16)17(23)20-15-8-4-13(5-9-15)18(24)21-28(25,26)22(2)3/h4-12H,1-3H3,(H,20,23)(H,21,24)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide?
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide has a molecular weight of 425.89 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 177371106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).