2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C20H21N3O4S2 — CID 4953336

IUPAC2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-3-15-4-8-17(9-5-15)27-14(2)19(24)22-16-6-10-18(11-7-16)29(25,26)23-20-21-12-13-28-20/h4-14H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBREWIGUILFLOSG-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.91
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 4953336) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID4953336
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-3-15-4-8-17(9-5-15)27-14(2)19(24)22-16-6-10-18(11-7-16)29(25,26)23-20-21-12-13-28-20/h4-14H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBREWIGUILFLOSG-UHFFFAOYSA-N
XLogP3.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 1133320
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CID 56971247
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CID 5758223
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CID 89761981
CID 89761981
CID 151534
CID 151534
CID 1575150
CID 1575150
CID 2408166
CID 2408166
CID 2915094
CID 2915094
CID 2983262
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CID 3161313
CID 3161313
CID 3163326
CID 3163326

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 4953336) is 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is BREWIGUILFLOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-3-15-4-8-17(9-5-15)27-14(2)19(24)22-16-6-10-18(11-7-16)29(25,26)23-20-21-12-13-28-20/h4-14H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 4953336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).