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

C22H28N2O4S — CID 100752345

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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