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

C17H17ClN2O5S — CID 177371105

IUPAC4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-11(25-15-9-5-13(18)6-10-15)16(21)19-14-7-3-12(4-8-14)17(22)20-26(2,23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyINQMRODMIGBEGZ-LLVKDONJSA-N
MW396.85 g/mol
LogP2.44
Rot. Bonds6

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

4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide (PubChem CID 177371105) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
PubChem CID177371105
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-11(25-15-9-5-13(18)6-10-15)16(21)19-14-7-3-12(4-8-14)17(22)20-26(2,23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyINQMRODMIGBEGZ-LLVKDONJSA-N
XLogP2.44
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-(dimethylsulfamoyl)benzamide
CID 177371106
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-(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
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide (CID 177371105) is 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide?
The InChIKey is INQMRODMIGBEGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-11(25-15-9-5-13(18)6-10-15)16(21)19-14-7-3-12(4-8-14)17(22)20-26(2,23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide?
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide has a molecular weight of 396.85 g/mol, XLogP of 2.44, 6 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-methylsulfonylbenzamide is sourced from PubChem (CID 177371105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).