N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide

C22H28N2O5S — CID 100608034

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H28N2O5S/c1-16(2)24-30(26,27)18-9-10-20(28-3)19(15-18)23-21(25)22(11-13-29-14-12-22)17-7-5-4-6-8-17/h4-10,15-16,24H,11-14H2,1-3H3,(H,23,25)
InChIKeyISFBEPWWSAJODF-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.07
Rot. Bonds7

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide (PubChem CID 100608034) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
PubChem CID100608034
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H28N2O5S/c1-16(2)24-30(26,27)18-9-10-20(28-3)19(15-18)23-21(25)22(11-13-29-14-12-22)17-7-5-4-6-8-17/h4-10,15-16,24H,11-14H2,1-3H3,(H,23,25)
InChIKeyISFBEPWWSAJODF-UHFFFAOYSA-N
XLogP3.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 92679928
1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 39991041
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969973
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide (CID 100608034) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
The InChIKey is ISFBEPWWSAJODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16(2)24-30(26,27)18-9-10-20(28-3)19(15-18)23-21(25)22(11-13-29-14-12-22)17-7-5-4-6-8-17/h4-10,15-16,24H,11-14H2,1-3H3,(H,23,25).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 100608034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).