N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide

C22H28N2O4S — CID 39932989

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C22H28N2O4S/c1-21(2,3)24-29(26,27)19-11-7-10-18(16-19)23-20(25)22(12-14-28-15-13-22)17-8-5-4-6-9-17/h4-11,16,24H,12-15H2,1-3H3,(H,23,25)
InChIKeyBIPNTPCONIQZQF-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.45
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide (PubChem CID 39932989) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
PubChem CID39932989
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C22H28N2O4S/c1-21(2,3)24-29(26,27)19-11-7-10-18(16-19)23-20(25)22(12-14-28-15-13-22)17-8-5-4-6-9-17/h4-11,16,24H,12-15H2,1-3H3,(H,23,25)
InChIKeyBIPNTPCONIQZQF-UHFFFAOYSA-N
XLogP3.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
CID 94824302
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide
CID 56508324
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
CID 27456004
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide
CID 55668918
2-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240738
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119688772
1-(4-chlorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 17477829

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide (CID 39932989) is N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
The InChIKey is BIPNTPCONIQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-21(2,3)24-29(26,27)19-11-7-10-18(16-19)23-20(25)22(12-14-28-15-13-22)17-8-5-4-6-9-17/h4-11,16,24H,12-15H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 39932989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).