4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide

C28H34N2O4S — CID 100703019

IUPAC4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(C)C
InChIInChI=1S/C28H34N2O4S/c1-18(2)24-17-26(19(3)15-25(24)34-7)35(32,33)30-23-10-8-9-22(16-23)29-27(31)20-11-13-21(14-12-20)28(4,5)6/h8-18,30H,1-7H3,(H,29,31)
InChIKeyAOOOHKQHJZDZOQ-UHFFFAOYSA-N
MW494.66 g/mol
LogP6.48
Rot. Bonds7

About 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide

4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 100703019) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID100703019
Molecular FormulaC28H34N2O4S
Molecular Weight494.66 g/mol
Exact Mass494.22
IUPAC Name4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(C)C
InChIInChI=1S/C28H34N2O4S/c1-18(2)24-17-26(19(3)15-25(24)34-7)35(32,33)30-23-10-8-9-22(16-23)29-27(31)20-11-13-21(14-12-20)28(4,5)6/h8-18,30H,1-7H3,(H,29,31)
InChIKeyAOOOHKQHJZDZOQ-UHFFFAOYSA-N
XLogP6.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 92685464
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 133186415
N-[2-(4-tert-butylphenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100561505
N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 46778684
3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186488

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide (CID 100703019) is 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide is COc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(C)C.
What is the InChIKey of 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is AOOOHKQHJZDZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-18(2)24-17-26(19(3)15-25(24)34-7)35(32,33)30-23-10-8-9-22(16-23)29-27(31)20-11-13-21(14-12-20)28(4,5)6/h8-18,30H,1-7H3,(H,29,31).
What are the key properties of 4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide?
4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 494.66 g/mol, XLogP of 6.48, 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-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 100703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).