N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C25H28N2O5S — CID 4953580

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-17(2)19-5-11-23(12-6-19)32-18(3)25(28)26-20-9-15-24(16-10-20)33(29,30)27-21-7-13-22(31-4)14-8-21/h5-18,27H,1-4H3,(H,26,28)
InChIKeyHHKWOFNPODNNIP-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.03
Rot. Bonds9

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 4953580) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID4953580
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-17(2)19-5-11-23(12-6-19)32-18(3)25(28)26-20-9-15-24(16-10-20)33(29,30)27-21-7-13-22(31-4)14-8-21/h5-18,27H,1-4H3,(H,26,28)
InChIKeyHHKWOFNPODNNIP-UHFFFAOYSA-N
XLogP5.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 54782884
(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 28632657
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17160189
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 4953580) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is HHKWOFNPODNNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17(2)19-5-11-23(12-6-19)32-18(3)25(28)26-20-9-15-24(16-10-20)33(29,30)27-21-7-13-22(31-4)14-8-21/h5-18,27H,1-4H3,(H,26,28).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 468.58 g/mol, XLogP of 5.03, 9 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-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 4953580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).