4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide

C29H28N2O4S — CID 46764727

IUPAC4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C29H28N2O4S/c1-29(2,3)22-14-12-21(13-15-22)28(32)30-23-8-7-9-24(20-23)31-36(33,34)27-18-16-26(17-19-27)35-25-10-5-4-6-11-25/h4-20,31H,1-3H3,(H,30,32)
InChIKeyYFBMHOYRSRPVNU-UHFFFAOYSA-N
MW500.62 g/mol
LogP6.83
Rot. Bonds7

About 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide

4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 46764727) has the molecular formula C29H28N2O4S and a molecular weight of 500.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
PubChem CID46764727
Molecular FormulaC29H28N2O4S
Molecular Weight500.62 g/mol
Exact Mass500.18
IUPAC Name4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C29H28N2O4S/c1-29(2,3)22-14-12-21(13-15-22)28(32)30-23-8-7-9-24(20-23)31-36(33,34)27-18-16-26(17-19-27)35-25-10-5-4-6-11-25/h4-20,31H,1-3H3,(H,30,32)
InChIKeyYFBMHOYRSRPVNU-UHFFFAOYSA-N
XLogP6.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
CID 78875489
N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738756
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide (CID 46764727) is 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is YFBMHOYRSRPVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4S/c1-29(2,3)22-14-12-21(13-15-22)28(32)30-23-8-7-9-24(20-23)31-36(33,34)27-18-16-26(17-19-27)35-25-10-5-4-6-11-25/h4-20,31H,1-3H3,(H,30,32).
What are the key properties of 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide?
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 500.62 g/mol, XLogP of 6.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 46764727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).