(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide

C21H27ClN2O5S — CID 93488180

IUPAC(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C21H27ClN2O5S/c1-12(2)24-30(26,27)17-7-8-19(28-6)18(11-17)23-21(25)15(5)29-16-9-13(3)20(22)14(4)10-16/h7-12,15,24H,1-6H3,(H,23,25)/t15-/m1/s1
InChIKeyUHRHVVKYXBZNNE-OAHLLOKOSA-N
MW454.98 g/mol
LogP4.06
Rot. Bonds8

About (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 93488180) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID93488180
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C21H27ClN2O5S/c1-12(2)24-30(26,27)17-7-8-19(28-6)18(11-17)23-21(25)15(5)29-16-9-13(3)20(22)14(4)10-16/h7-12,15,24H,1-6H3,(H,23,25)/t15-/m1/s1
InChIKeyUHRHVVKYXBZNNE-OAHLLOKOSA-N
XLogP4.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide with MolForge

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 92679623
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2969227
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21367757
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 93488180) is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is UHRHVVKYXBZNNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-12(2)24-30(26,27)17-7-8-19(28-6)18(11-17)23-21(25)15(5)29-16-9-13(3)20(22)14(4)10-16/h7-12,15,24H,1-6H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 454.98 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 93488180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).