N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide

C22H22N2O5S — CID 4876778

IUPACN-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-16(25)23-19-10-13-21(28-2)22(14-19)30(26,27)24-18-8-11-20(12-9-18)29-15-17-6-4-3-5-7-17/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyBJUNOWCSYLKBKX-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.03
Rot. Bonds8

About N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide

N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4876778) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID4876778
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-16(25)23-19-10-13-21(28-2)22(14-19)30(26,27)24-18-8-11-20(12-9-18)29-15-17-6-4-3-5-7-17/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyBJUNOWCSYLKBKX-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide (CID 4876778) is N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is BJUNOWCSYLKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-16(25)23-19-10-13-21(28-2)22(14-19)30(26,27)24-18-8-11-20(12-9-18)29-15-17-6-4-3-5-7-17/h3-14,24H,15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide?
N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4876778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).