2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide

C22H29ClN2O5S — CID 55792391

IUPAC2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2cc(C)ccc2Cl)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H29ClN2O5S/c1-6-25(7-2)31(27,28)21-14-17(10-12-19(21)29-8-3)24-22(26)16(5)30-20-13-15(4)9-11-18(20)23/h9-14,16H,6-8H2,1-5H3,(H,24,26)
InChIKeyBQMVQFQTTWTQTD-UHFFFAOYSA-N
MW469.00 g/mol
LogP4.48
Rot. Bonds10

About 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide

2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide (PubChem CID 55792391) has the molecular formula C22H29ClN2O5S and a molecular weight of 469.00 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
PubChem CID55792391
Molecular FormulaC22H29ClN2O5S
Molecular Weight469.00 g/mol
Exact Mass468.15
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2cc(C)ccc2Cl)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H29ClN2O5S/c1-6-25(7-2)31(27,28)21-14-17(10-12-19(21)29-8-3)24-22(26)16(5)30-20-13-15(4)9-11-18(20)23/h9-14,16H,6-8H2,1-5H3,(H,24,26)
InChIKeyBQMVQFQTTWTQTD-UHFFFAOYSA-N
XLogP4.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.00
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55773525
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 55504436
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510482
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 43077928

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide (CID 55792391) is 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide is CCOc1ccc(NC(=O)C(C)Oc2cc(C)ccc2Cl)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The InChIKey is BQMVQFQTTWTQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O5S/c1-6-25(7-2)31(27,28)21-14-17(10-12-19(21)29-8-3)24-22(26)16(5)30-20-13-15(4)9-11-18(20)23/h9-14,16H,6-8H2,1-5H3,(H,24,26).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide has a molecular weight of 469.00 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide is sourced from PubChem (CID 55792391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).