4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide

C42H32N2O6S2 — CID 5128744

IUPAC4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(c2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H32N2O6S2/c1-29-11-15-33(16-12-29)41(45)43(51(47,48)39-25-19-31-7-3-5-9-35(31)27-39)37-21-23-38(24-22-37)44(42(46)34-17-13-30(2)14-18-34)52(49,50)40-26-20-32-8-4-6-10-36(32)28-40/h3-28H,1-2H3
InChIKeyGKQBBWHWAIDDPL-UHFFFAOYSA-N
MW724.86 g/mol
LogP8.68
Rot. Bonds8

About 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide

4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide (PubChem CID 5128744) has the molecular formula C42H32N2O6S2 and a molecular weight of 724.86 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
PubChem CID5128744
Molecular FormulaC42H32N2O6S2
Molecular Weight724.86 g/mol
Exact Mass724.17
IUPAC Name4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(c2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H32N2O6S2/c1-29-11-15-33(16-12-29)41(45)43(51(47,48)39-25-19-31-7-3-5-9-35(31)27-39)37-21-23-38(24-22-37)44(42(46)34-17-13-30(2)14-18-34)52(49,50)40-26-20-32-8-4-6-10-36(32)28-40/h3-28H,1-2H3
InChIKeyGKQBBWHWAIDDPL-UHFFFAOYSA-N
XLogP8.68
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.86
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide
CID 19212556
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
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2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide (CID 5128744) is 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide is Cc1ccc(C(=O)N(c2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
The InChIKey is GKQBBWHWAIDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O6S2/c1-29-11-15-33(16-12-29)41(45)43(51(47,48)39-25-19-31-7-3-5-9-35(31)27-39)37-21-23-38(24-22-37)44(42(46)34-17-13-30(2)14-18-34)52(49,50)40-26-20-32-8-4-6-10-36(32)28-40/h3-28H,1-2H3.
What are the key properties of 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide?
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide has a molecular weight of 724.86 g/mol, XLogP of 8.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide is sourced from PubChem (CID 5128744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).