N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide

C22H22N2O5S — CID 4939891

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-16(29-20-6-4-3-5-7-20)22(25)23-17-10-14-21(15-11-17)30(26,27)24-18-8-12-19(28-2)13-9-18/h3-16,24H,1-2H3,(H,23,25)
InChIKeyNNGJAKQWTWJAMC-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.90
Rot. Bonds8

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide (PubChem CID 4939891) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
PubChem CID4939891
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-16(29-20-6-4-3-5-7-20)22(25)23-17-10-14-21(15-11-17)30(26,27)24-18-8-12-19(28-2)13-9-18/h3-16,24H,1-2H3,(H,23,25)
InChIKeyNNGJAKQWTWJAMC-UHFFFAOYSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 24639819
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 28632657
2-(4-acetylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638155
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94012374
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 93487080
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide (CID 4939891) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide?
The InChIKey is NNGJAKQWTWJAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-16(29-20-6-4-3-5-7-20)22(25)23-17-10-14-21(15-11-17)30(26,27)24-18-8-12-19(28-2)13-9-18/h3-16,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide has a molecular weight of 426.49 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 4939891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).