N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide

C22H28N2O4S — CID 100752345

IUPACN-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)(C)C)CCCC2
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)23-21(25)17-11-7-8-12-18(17)24-29(26,27)20-14-16-10-6-5-9-15(16)13-19(20)28-4/h7-8,11-14,24H,5-6,9-10H2,1-4H3,(H,23,25)
InChIKeyILYONFCCLPQONH-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.90
Rot. Bonds5

About N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide

N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide (PubChem CID 100752345) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide
PubChem CID100752345
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)(C)C)CCCC2
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)23-21(25)17-11-7-8-12-18(17)24-29(26,27)20-14-16-10-6-5-9-15(16)13-19(20)28-4/h7-8,11-14,24H,5-6,9-10H2,1-4H3,(H,23,25)
InChIKeyILYONFCCLPQONH-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 133228042
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 7938855
N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100760048
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 51557476

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide (CID 100752345) is N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide is COc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)(C)C)CCCC2.
What is the InChIKey of N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide?
The InChIKey is ILYONFCCLPQONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-22(2,3)23-21(25)17-11-7-8-12-18(17)24-29(26,27)20-14-16-10-6-5-9-15(16)13-19(20)28-4/h7-8,11-14,24H,5-6,9-10H2,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide?
N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 100752345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).