2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide

C22H29ClN2O5S — CID 4881651

IUPAC2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O5S/c1-6-25(7-2)31(27,28)18-13-14-20(29-8-3)19(15-18)24-21(26)22(4,5)30-17-11-9-16(23)10-12-17/h9-15H,6-8H2,1-5H3,(H,24,26)
InChIKeyTXIPCXVHQZNQNJ-UHFFFAOYSA-N
MW469.00 g/mol
LogP4.57
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide (PubChem CID 4881651) has the molecular formula C22H29ClN2O5S and a molecular weight of 469.00 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide
PubChem CID4881651
Molecular FormulaC22H29ClN2O5S
Molecular Weight469.00 g/mol
Exact Mass468.15
IUPAC Name2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O5S/c1-6-25(7-2)31(27,28)18-13-14-20(29-8-3)19(15-18)24-21(26)22(4,5)30-17-11-9-16(23)10-12-17/h9-15H,6-8H2,1-5H3,(H,24,26)
InChIKeyTXIPCXVHQZNQNJ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 17225707
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
CID 8683228
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
4-(4-chlorophenoxy)-N-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamothioyl]butanamide
CID 19188919
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide (CID 4881651) is 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide?
The InChIKey is TXIPCXVHQZNQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O5S/c1-6-25(7-2)31(27,28)18-13-14-20(29-8-3)19(15-18)24-21(26)22(4,5)30-17-11-9-16(23)10-12-17/h9-15H,6-8H2,1-5H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide has a molecular weight of 469.00 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 4881651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).