2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide

C20H25ClN2O5S — CID 126392224

IUPAC2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-15(2)27-13-3-12-22-20(24)14-28-18-8-10-19(11-9-18)29(25,26)23-17-6-4-16(21)5-7-17/h4-11,15,23H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyAWFBJVCRMGJCOQ-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.45
Rot. Bonds11

About 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126392224) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126392224
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-15(2)27-13-3-12-22-20(24)14-28-18-8-10-19(11-9-18)29(25,26)23-17-6-4-16(21)5-7-17/h4-11,15,23H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyAWFBJVCRMGJCOQ-UHFFFAOYSA-N
XLogP3.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-ethylacetamide
CID 4238795
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
N-(2-hydroxyethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4618200
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
CID 3886490
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 4024458
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126271049

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide (CID 126392224) is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is AWFBJVCRMGJCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-15(2)27-13-3-12-22-20(24)14-28-18-8-10-19(11-9-18)29(25,26)23-17-6-4-16(21)5-7-17/h4-11,15,23H,3,12-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide?
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 440.95 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126392224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).