4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide

C20H26N2O4S — CID 20629931

IUPAC4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
SMILESCC(C)(O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-19(2,3)27(25,26)22-17-10-6-14(7-11-17)18(23)21-16-12-8-15(9-13-16)20(4,5)24/h6-13,22,24H,1-5H3,(H,21,23)
InChIKeyHYUXYIIHKYPBOW-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.71
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide

4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide (PubChem CID 20629931) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
PubChem CID20629931
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
SMILESCC(C)(O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-19(2,3)27(25,26)22-17-10-6-14(7-11-17)18(23)21-16-12-8-15(9-13-16)20(4,5)24/h6-13,22,24H,1-5H3,(H,21,23)
InChIKeyHYUXYIIHKYPBOW-UHFFFAOYSA-N
XLogP3.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879
4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide
CID 70792973
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 20630356
4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide
CID 20630833
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
CID 20630819
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329
4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide
CID 20629964
4-(tert-butylsulfonylamino)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 20629092
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide (CID 20629931) is 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide is CC(C)(O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
The InChIKey is HYUXYIIHKYPBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-19(2,3)27(25,26)22-17-10-6-14(7-11-17)18(23)21-16-12-8-15(9-13-16)20(4,5)24/h6-13,22,24H,1-5H3,(H,21,23).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide is sourced from PubChem (CID 20629931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).